#
# WEBSUBMISSION for the ICDD from 192.168.0.107
#

data_AUDIT

_audit_contact_author_email   jstxwangqing@163.com
_audit_contact_author_name   'Qing Wang'
_audit_creation_date   '070815:103434'
_audit_creation_method   'ICDD WEB SUBMISSION: 1.0'
data_PUBL

_publ_requested_category   SC
_publ_CONTACT_AUTHOR_name   'Qing Wang'
_publ_CONTACT_AUTHOR_address   'College of Chemical Engineering, Sichuan University, Chengdu 610065, China'
_publ_CONTACT_AUTHOR_email   jstxwangqing@163.com
#
# null
#

loop_
      _publ_author_name
      _publ_author_address
'Ya Ping Li'   'College of Chemical Engineering, Sichuan University, Chengdu 610065, China'   
'Shan Shan Li'   'College of Chemical Engineering, Sichuan University, Chengdu 610065, China'   
'Bin Tang'   'College of Chemical Engineering, Sichuan University, Chengdu 610065, China'   
'Hui Li'   'College of Chemical Engineering, Sichuan University, Chengdu 610065, China'   

_publ_section_keywords
;
1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone, pharmaceutical 
Intermediate, anticoagulant, apixaban
;
_publ_section_abstract
;
1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone is an intermediate 
in the synthesis of the anticoagulant, Apixaban. The sample was prepared using 3-
(4-morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1H)-pyridinone and was recrystallized 
in methanol and dried. The sample was then ground into powder (HPLC ¡Ý98%, ¦Ñ =1.283 
g cm?3, Tmelt = 180 182 ¡ãC) and mounted on a flat zero background plate. X-ray powder 
diffraction measurement was performed at room temperature using an X¡¯Pert PRO diffractometer 
with a PIXcel 1D detector and Cu K¦Á radiation (generator setting: 40 kV and 40 mA). 
The diffraction data were collected over the angular range from 4 to 50¡ã 2¦È with 
a step size of 0.01313¡ã 2¦È and a counting time of 30 ms/step. The software package 
Material Studio 8.0 was used to process the data in the Analytical & Testing Center 
(Sichuan University, China). The X-ray powder diffraction pattern was pre-treated 
by subtracting the background, smoothing, and stripping off the K¦Á2 component. Automatic 
indexing results were obtained by X-Cell method. The preliminary cell from indexing 
was refined using the Pawley method. The refinement confirmed that the sample crystallizes 
in the monoclinic space group P21/c, with a = 14.877(4) ?, b = 5.893(6) ?, c = 18.984(3) 
?, ¦Á = 90¡ã, ¦Â = 122.298(3)¡ã, ¦Ã = 90¡ã, V = 1406.86 ?3, Z = 4, and ¦Ñx = 1.290 g cm?3.
;

data_DATA

_icdd_publ_in_PowderDiffraction   1
#
# 
#

_chemical_name_systematic   1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone
_chemical_name_common   ?
_chemical_name_mineral   ?
_chemical_name_pdf_zeolite   ?
_chemical_name_pdf_trademark   ?
#
# 
#

_chemical_formula_structural   C15H19N3O2
_chemical_formula_iupac   ?
_chemical_formula_moiety   ?
_chemical_formula_sum   ?
_chemical_formula_analytical   ?
_symmetry_cell_setting   MonoClinic
_symmetry_space_group_name_H-M   P21/c
_cell_length_a   14.877(4)
_cell_length_b   5.893(6)
_cell_length_c   18.984(3)
_cell_angle_alpha   90
_cell_angle_beta   122.298(3)
_cell_angle_gamma   90
_cell_formula_units_Z   4
#
# 
#

_pd_prep_conditions
;
The sample was prepared using 3-(4-morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1H)-
pyridinone and was recrystallized in methanol and dried. The sample was then ground 
into powder and mounted on a flat zero background plate.
;
_diffrn_ambient_temperature   298

#
# 
#

_diffrn_radiation_probe   x-ray

#
# 
#

loop_
_diffrn_radiation_wavelength_id
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
1 1.54056 1.0 CuKa1


_pd_meas_2theta_range_min   4.00656514
_pd_meas_2theta_range_max   49.98881507
_pd_meas_2theta_range_inc   0.013126534

#
# PowderData
#

loop_
      _pd_meas_2theta_scan
      _pd_meas_counts_total
      _icdd_PDF_NOTES
4.00656514   616   .   
4.019695423   628   .   
4.032825705   603   .   
4.045955988   630   .   
4.059086271   630   .   
4.072216553   632   .   
4.085346836   660   .   
4.098477119   624   .   
4.111607401   588   .   
4.124737684   656   .   
4.137867967   634   .   
4.150998249   601   .   
4.164128532   570   .   
4.177258815   624   .   
4.190389097   639   .   
4.20351938   668   .   
4.216649663   635   .   
4.229779945   665   .   
4.242910228   606   .   
4.256040511   645   .   
4.269170794   615   .   
4.282301076   656   .   
4.295431359   622   .   
4.308561642   657   .   
4.321691924   653   .   
4.334822207   637   .   
4.34795249   662   .   
4.361082772   625   .   
4.374213055   677   .   
4.387343338   719   .   
4.40047362   699   .   
4.413603903   673   .   
4.426734186   656   .   
4.439864468   707   .   
4.452994751   646   .   
4.466125034   665   .   
4.479255316   642   .   
4.492385599   620   .   
4.505515882   661   .   
4.518646164   667   .   
4.531776447   633   .   
4.54490673   660   .   
4.558037012   658   .   
4.571167295   667   .   
4.584297578   686   .   
4.59742786   630   .   
4.610558143   658   .   
4.623688426   665   .   
4.636818708   661   .   
4.649948991   677   .   
4.663079274   700   .   
4.676209556   686   .   
4.689339839   702   .   
4.702470122   692   .   
4.715600404   721   .   
4.728730687   723   .   
4.74186097   701   .   
4.754991253   679   .   
4.768121535   720   .   
4.781251818   759   .   
4.794382101   738   .   
4.807512383   722   .   
4.820642666   741   .   
4.833772949   682   .   
4.846903231   706   .   
4.860033514   748   .   
4.873163797   693   .   
4.886294079   657   .   
4.899424362   678   .   
4.912554645   699   .   
4.925684927   733   .   
4.93881521   712   .   
4.951945493   711   .   
4.965075775   681   .   
4.978206058   707   .   
4.991336341   683   .   
5.004466623   691   .   
5.017596906   746   .   
5.030727189   680   .   
5.043857471   757   .   
5.056987754   760   .   
5.070118037   762   .   
5.083248319   704   .   
5.096378602   773   .   
5.109508885   741   .   
5.122639167   740   .   
5.13576945   697   .   
5.148899733   735   .   
5.162030015   740   .   
5.175160298   738   .   
5.188290581   786   .   
5.201420863   751   .   
5.214551146   746   .   
5.227681429   719   .   
5.240811712   752   .   
5.253941994   696   .   
5.267072277   726   .   
5.28020256   693   .   
5.293332842   709   .   
5.306463125   745   .   
5.319593408   739   .   
5.33272369   721   .   
5.345853973   739   .   
5.358984256   662   .   
5.372114538   734   .   
5.385244821   745   .   
5.398375104   786   .   
5.411505386   816   .   
5.424635669   755   .   
5.437765952   771   .   
5.450896234   788   .   
5.464026517   817   .   
5.4771568   810   .   
5.490287082   756   .   
5.503417365   776   .   
5.516547648   755   .   
5.52967793   803   .   
5.542808213   757   .   
5.555938496   793   .   
5.569068778   748   .   
5.582199061   804   .   
5.595329344   765   .   
5.608459626   767   .   
5.621589909   799   .   
5.634720192   873   .   
5.647850474   843   .   
5.660980757   834   .   
5.67411104   823   .   
5.687241322   786   .   
5.700371605   822   .   
5.713501888   806   .   
5.726632171   772   .   
5.739762453   746   .   
5.752892736   802   .   
5.766023019   801   .   
5.779153301   837   .   
5.792283584   824   .   
5.805413867   824   .   
5.818544149   785   .   
5.831674432   763   .   
5.844804715   788   .   
5.857934997   832   .   
5.87106528   834   .   
5.884195563   837   .   
5.897325845   784   .   
5.910456128   820   .   
5.923586411   785   .   
5.936716693   787   .   
5.949846976   849   .   
5.962977259   788   .   
5.976107541   825   .   
5.989237824   816   .   
6.002368107   797   .   
6.015498389   811   .   
6.028628672   772   .   
6.041758955   804   .   
6.054889237   831   .   
6.06801952   816   .   
6.081149803   863   .   
6.094280085   833   .   
6.107410368   797   .   
6.120540651   835   .   
6.133670933   792   .   
6.146801216   857   .   
6.159931499   842   .   
6.173061781   889   .   
6.186192064   807   .   
6.199322347   779   .   
6.21245263   813   .   
6.225582912   814   .   
6.238713195   887   .   
6.251843478   894   .   
6.26497376   790   .   
6.278104043   868   .   
6.291234326   832   .   
6.304364608   827   .   
6.317494891   853   .   
6.330625174   860   .   
6.343755456   829   .   
6.356885739   878   .   
6.370016022   822   .   
6.383146304   817   .   
6.396276587   906   .   
6.40940687   824   .   
6.422537152   894   .   
6.435667435   882   .   
6.448797718   926   .   
6.461928   900   .   
6.475058283   880   .   
6.488188566   847   .   
6.501318848   860   .   
6.514449131   923   .   
6.527579414   923   .   
6.540709696   878   .   
6.553839979   961   .   
6.566970262   887   .   
6.580100544   915   .   
6.593230827   851   .   
6.60636111   784   .   
6.619491392   888   .   
6.632621675   937   .   
6.645751958   897   .   
6.65888224   879   .   
6.672012523   910   .   
6.685142806   938   .   
6.698273089   933   .   
6.711403371   980   .   
6.724533654   1024   .   
6.737663937   1049   .   
6.750794219   1010   .   
6.763924502   1014   .   
6.777054785   994   .   
6.790185067   1055   .   
6.80331535   1056   .   
6.816445633   1071   .   
6.829575915   1090   .   
6.842706198   1105   .   
6.855836481   1163   .   
6.868966763   1132   .   
6.882097046   1221   .   
6.895227329   1195   .   
6.908357611   1330   .   
6.921487894   1323   .   
6.934618177   1405   .   
6.947748459   1373   .   
6.960878742   1499   .   
6.974009025   1458   .   
6.987139307   1553   .   
7.00026959   1636   .   
7.013399873   1742   .   
7.026530155   1840   .   
7.039660438   1892   .   
7.052790721   1900   .   
7.065921003   1750   .   
7.079051286   1452   .   
7.092181569   1209   .   
7.105311851   988   .   
7.118442134   1008   .   
7.131572417   960   .   
7.144702699   932   .   
7.157832982   902   .   
7.170963265   942   .   
7.184093547   968   .   
7.19722383   945   .   
7.210354113   951   .   
7.223484396   985   .   
7.236614678   968   .   
7.249744961   939   .   
7.262875244   959   .   
7.276005526   951   .   
7.289135809   984   .   
7.302266092   961   .   
7.315396374   920   .   
7.328526657   929   .   
7.34165694   950   .   
7.354787222   940   .   
7.367917505   993   .   
7.381047788   967   .   
7.39417807   917   .   
7.407308353   936   .   
7.420438636   891   .   
7.433568918   940   .   
7.446699201   921   .   
7.459829484   905   .   
7.472959766   979   .   
7.486090049   991   .   
7.499220332   956   .   
7.512350614   991   .   
7.525480897   920   .   
7.53861118   923   .   
7.551741462   919   .   
7.564871745   903   .   
7.578002028   928   .   
7.59113231   1016   .   
7.604262593   948   .   
7.617392876   953   .   
7.630523158   938   .   
7.643653441   928   .   
7.656783724   869   .   
7.669914006   943   .   
7.683044289   938   .   
7.696174572   944   .   
7.709304855   956   .   
7.722435137   905   .   
7.73556542   984   .   
7.748695703   904   .   
7.761825985   935   .   
7.774956268   996   .   
7.788086551   871   .   
7.801216833   962   .   
7.814347116   972   .   
7.827477399   1029   .   
7.840607681   967   .   
7.853737964   1011   .   
7.866868247   937   .   
7.879998529   918   .   
7.893128812   977   .   
7.906259095   961   .   
7.919389377   977   .   
7.93251966   968   .   
7.945649943   894   .   
7.958780225   940   .   
7.971910508   868   .   
7.985040791   934   .   
7.998171073   1025   .   
8.011301356   968   .   
8.024431639   977   .   
8.037561921   957   .   
8.050692204   1025   .   
8.063822487   1012   .   
8.076952769   980   .   
8.090083052   917   .   
8.103213335   935   .   
8.116343617   966   .   
8.1294739   967   .   
8.142604183   913   .   
8.155734465   952   .   
8.168864748   967   .   
8.181995031   960   .   
8.195125314   988   .   
8.208255596   935   .   
8.221385879   974   .   
8.234516162   969   .   
8.247646444   964   .   
8.260776727   956   .   
8.27390701   945   .   
8.287037292   1024   .   
8.300167575   917   .   
8.313297858   993   .   
8.32642814   997   .   
8.339558423   942   .   
8.352688706   967   .   
8.365818988   1016   .   
8.378949271   961   .   
8.392079554   881   .   
8.405209836   944   .   
8.418340119   956   .   
8.431470402   948   .   
8.444600684   930   .   
8.457730967   948   .   
8.47086125   957   .   
8.483991532   940   .   
8.497121815   976   .   
8.510252098   902   .   
8.52338238   966   .   
8.536512663   969   .   
8.549642946   1031   .   
8.562773228   917   .   
8.575903511   951   .   
8.589033794   959   .   
8.602164076   966   .   
8.615294359   963   .   
8.628424642   950   .   
8.641554924   951   .   
8.654685207   1034   .   
8.66781549   1015   .   
8.680945773   992   .   
8.694076055   893   .   
8.707206338   977   .   
8.720336621   960   .   
8.733466903   959   .   
8.746597186   967   .   
8.759727469   1019   .   
8.772857751   974   .   
8.785988034   988   .   
8.799118317   1038   .   
8.812248599   922   .   
8.825378882   941   .   
8.838509165   933   .   
8.851639447   1001   .   
8.86476973   1031   .   
8.877900013   924   .   
8.891030295   1005   .   
8.904160578   934   .   
8.917290861   974   .   
8.930421143   948   .   
8.943551426   996   .   
8.956681709   955   .   
8.969811991   1010   .   
8.982942274   1017   .   
8.996072557   1076   .   
9.009202839   965   .   
9.022333122   993   .   
9.035463405   1018   .   
9.048593687   1009   .   
9.06172397   1018   .   
9.074854253   1036   .   
9.087984535   1019   .   
9.101114818   1026   .   
9.114245101   1039   .   
9.127375383   1008   .   
9.140505666   1083   .   
9.153635949   1062   .   
9.166766232   1101   .   
9.179896514   1129   .   
9.193026797   1105   .   
9.20615708   1125   .   
9.219287362   1186   .   
9.232417645   1227   .   
9.245547928   1210   .   
9.25867821   1239   .   
9.271808493   1330   .   
9.284938776   1287   .   
9.298069058   1307   .   
9.311199341   1378   .   
9.324329624   1407   .   
9.337459906   1478   .   
9.350590189   1611   .   
9.363720472   1525   .   
9.376850754   1584   .   
9.389981037   1706   .   
9.40311132   1729   .   
9.416241602   1575   .   
9.429371885   1539   .   
9.442502168   1350   .   
9.45563245   1213   .   
9.468762733   1028   .   
9.481893016   969   .   
9.495023298   951   .   
9.508153581   962   .   
9.521283864   962   .   
9.534414146   941   .   
9.547544429   922   .   
9.560674712   890   .   
9.573804994   874   .   
9.586935277   917   .   
9.60006556   921   .   
9.613195842   902   .   
9.626326125   895   .   
9.639456408   874   .   
9.652586691   986   .   
9.665716973   901   .   
9.678847256   869   .   
9.691977539   940   .   
9.705107821   919   .   
9.718238104   918   .   
9.731368387   936   .   
9.744498669   924   .   
9.757628952   956   .   
9.770759235   964   .   
9.783889517   932   .   
9.7970198   866   .   
9.810150083   906   .   
9.823280365   880   .   
9.836410648   922   .   
9.849540931   898   .   
9.862671213   971   .   
9.875801496   896   .   
9.888931779   873   .   
9.902062061   896   .   
9.915192344   907   .   
9.928322627   866   .   
9.941452909   934   .   
9.954583192   901   .   
9.967713475   882   .   
9.980843757   861   .   
9.99397404   916   .   
10.00710432   892   .   
10.02023461   900   .   
10.03336489   913   .   
10.04649517   897   .   
10.05962545   788   .   
10.07275574   850   .   
10.08588602   792   .   
10.0990163   845   .   
10.11214658   904   .   
10.12527687   855   .   
10.13840715   888   .   
10.15153743   874   .   
10.16466772   853   .   
10.177798   828   .   
10.19092828   880   .   
10.20405856   883   .   
10.21718885   921   .   
10.23031913   867   .   
10.24344941   851   .   
10.25657969   846   .   
10.26970998   845   .   
10.28284026   837   .   
10.29597054   804   .   
10.30910082   842   .   
10.32223111   882   .   
10.33536139   800   .   
10.34849167   894   .   
10.36162196   871   .   
10.37475224   817   .   
10.38788252   901   .   
10.4010128   888   .   
10.41414309   818   .   
10.42727337   821   .   
10.44040365   829   .   
10.45353393   821   .   
10.46666422   871   .   
10.4797945   851   .   
10.49292478   823   .   
10.50605506   821   .   
10.51918535   835   .   
10.53231563   936   .   
10.54544591   896   .   
10.5585762   917   .   
10.57170648   864   .   
10.58483676   848   .   
10.59796704   823   .   
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44.32966324   369   .   
44.34279352   362   .   
44.3559238   351   .   
44.36905409   345   .   
44.38218437   319   .   
44.39531465   357   .   
44.40844493   363   .   
44.42157522   378   .   
44.4347055   419   .   
44.44783578   360   .   
44.46096606   410   .   
44.47409635   368   .   
44.48722663   360   .   
44.50035691   411   .   
44.51348719   394   .   
44.52661748   387   .   
44.53974776   422   .   
44.55287804   395   .   
44.56600833   408   .   
44.57913861   379   .   
44.59226889   445   .   
44.60539917   415   .   
44.61852946   506   .   
44.63165974   477   .   
44.64479002   494   .   
44.6579203   505   .   
44.67105059   496   .   
44.68418087   464   .   
44.69731115   489   .   
44.71044143   578   .   
44.72357172   562   .   
44.736702   571   .   
44.74983228   565   .   
44.76296257   592   .   
44.77609285   605   .   
44.78922313   628   .   
44.80235341   658   .   
44.8154837   694   .   
44.82861398   678   .   
44.84174426   743   .   
44.85487454   726   .   
44.86800483   699   .   
44.88113511   680   .   
44.89426539   708   .   
44.90739568   644   .   
44.92052596   601   .   
44.93365624   591   .   
44.94678652   532   .   
44.95991681   543   .   
44.97304709   512   .   
44.98617737   509   .   
44.99930765   512   .   
45.01243794   497   .   
45.02556822   436   .   
45.0386985   433   .   
45.05182878   389   .   
45.06495907   407   .   
45.07808935   409   .   
45.09121963   408   .   
45.10434992   390   .   
45.1174802   370   .   
45.13061048   369   .   
45.14374076   397   .   
45.15687105   424   .   
45.17000133   432   .   
45.18313161   503   .   
45.19626189   424   .   
45.20939218   421   .   
45.22252246   451   .   
45.23565274   478   .   
45.24878302   458   .   
45.26191331   514   .   
45.27504359   531   .   
45.28817387   536   .   
45.30130416   500   .   
45.31443444   555   .   
45.32756472   605   .   
45.340695   578   .   
45.35382529   594   .   
45.36695557   614   .   
45.38008585   635   .   
45.39321613   657   .   
45.40634642   655   .   
45.4194767   639   .   
45.43260698   634   .   
45.44573726   662   .   
45.45886755   676   .   
45.47199783   660   .   
45.48512811   552   .   
45.4982584   556   .   
45.51138868   526   .   
45.52451896   479   .   
45.53764924   478   .   
45.55077953   459   .   
45.56390981   465   .   
45.57704009   482   .   
45.59017037   429   .   
45.60330066   444   .   
45.61643094   387   .   
45.62956122   381   .   
45.6426915   363   .   
45.65582179   403   .   
45.66895207   357   .   
45.68208235   386   .   
45.69521264   403   .   
45.70834292   342   .   
45.7214732   441   .   
45.73460348   465   .   
45.74773377   402   .   
45.76086405   437   .   
45.77399433   494   .   
45.78712461   426   .   
45.8002549   398   .   
45.81338518   416   .   
45.82651546   392   .   
45.83964575   389   .   
45.85277603   380   .   
45.86590631   394   .   
45.87903659   406   .   
45.89216688   365   .   
45.90529716   402   .   
45.91842744   409   .   
45.93155772   376   .   
45.94468801   386   .   
45.95781829   399   .   
45.97094857   359   .   
45.98407885   390   .   
45.99720914   386   .   
46.01033942   355   .   
46.0234697   358   .   
46.03659999   353   .   
46.04973027   326   .   
46.06286055   365   .   
46.07599083   334   .   
46.08912112   328   .   
46.1022514   304   .   
46.11538168   339   .   
46.12851196   309   .   
46.14164225   308   .   
46.15477253   309   .   
46.16790281   342   .   
46.18103309   366   .   
46.19416338   341   .   
46.20729366   373   .   
46.22042394   346   .   
46.23355423   348   .   
46.24668451   363   .   
46.25981479   398   .   
46.27294507   414   .   
46.28607536   369   .   
46.29920564   412   .   
46.31233592   500   .   
46.3254662   436   .   
46.33859649   456   .   
46.35172677   450   .   
46.36485705   501   .   
46.37798733   495   .   
46.39111762   477   .   
46.4042479   523   .   
46.41737818   525   .   
46.43050847   531   .   
46.44363875   575   .   
46.45676903   555   .   
46.46989931   573   .   
46.4830296   619   .   
46.49615988   674   .   
46.50929016   630   .   
46.52242044   602   .   
46.53555073   591   .   
46.54868101   560   .   
46.56181129   518   .   
46.57494157   521   .   
46.58807186   531   .   
46.60120214   485   .   
46.61433242   463   .   
46.62746271   451   .   
46.64059299   442   .   
46.65372327   424   .   
46.66685355   380   .   
46.67998384   380   .   
46.69311412   373   .   
46.7062444   356   .   
46.71937468   352   .   
46.73250497   348   .   
46.74563525   342   .   
46.75876553   330   .   
46.77189581   271   .   
46.7850261   310   .   
46.79815638   307   .   
46.81128666   297   .   
46.82441695   310   .   
46.83754723   294   .   
46.85067751   281   .   
46.86380779   306   .   
46.87693808   300   .   
46.89006836   267   .   
46.90319864   336   .   
46.91632892   293   .   
46.92945921   284   .   
46.94258949   310   .   
46.95571977   302   .   
46.96885006   300   .   
46.98198034   295   .   
46.99511062   347   .   
47.0082409   327   .   
47.02137119   327   .   
47.03450147   275   .   
47.04763175   324   .   
47.06076203   345   .   
47.07389232   314   .   
47.0870226   318   .   
47.10015288   342   .   
47.11328316   311   .   
47.12641345   311   .   
47.13954373   308   .   
47.15267401   325   .   
47.1658043   340   .   
47.17893458   321   .   
47.19206486   320   .   
47.20519514   326   .   
47.21832543   287   .   
47.23145571   322   .   
47.24458599   318   .   
47.25771627   293   .   
47.27084656   315   .   
47.28397684   297   .   
47.29710712   313   .   
47.3102374   298   .   
47.32336769   301   .   
47.33649797   283   .   
47.34962825   303   .   
47.36275854   280   .   
47.37588882   299   .   
47.3890191   277   .   
47.40214938   273   .   
47.41527967   300   .   
47.42840995   276   .   
47.44154023   281   .   
47.45467051   305   .   
47.4678008   284   .   
47.48093108   267   .   
47.49406136   282   .   
47.50719164   278   .   
47.52032193   281   .   
47.53345221   273   .   
47.54658249   304   .   
47.55971278   261   .   
47.57284306   300   .   
47.58597334   276   .   
47.59910362   303   .   
47.61223391   321   .   
47.62536419   299   .   
47.63849447   306   .   
47.65162475   303   .   
47.66475504   310   .   
47.67788532   325   .   
47.6910156   301   .   
47.70414588   331   .   
47.71727617   336   .   
47.73040645   332   .   
47.74353673   338   .   
47.75666702   362   .   
47.7697973   345   .   
47.78292758   315   .   
47.79605786   332   .   
47.80918815   392   .   
47.82231843   379   .   
47.83544871   379   .   
47.84857899   400   .   
47.86170928   383   .   
47.87483956   403   .   
47.88796984   446   .   
47.90110013   440   .   
47.91423041   413   .   
47.92736069   491   .   
47.94049097   450   .   
47.95362126   490   .   
47.96675154   456   .   
47.97988182   508   .   
47.9930121   500   .   
48.00614239   471   .   
48.01927267   472   .   
48.03240295   508   .   
48.04553323   495   .   
48.05866352   500   .   
48.0717938   487   .   
48.08492408   487   .   
48.09805437   482   .   
48.11118465   483   .   
48.12431493   487   .   
48.13744521   517   .   
48.1505755   465   .   
48.16370578   442   .   
48.17683606   446   .   
48.18996634   440   .   
48.20309663   364   .   
48.21622691   395   .   
48.22935719   371   .   
48.24248747   434   .   
48.25561776   394   .   
48.26874804   363   .   
48.28187832   380   .   
48.29500861   353   .   
48.30813889   318   .   
48.32126917   318   .   
48.33439945   340   .   
48.34752974   305   .   
48.36066002   321   .   
48.3737903   324   .   
48.38692058   318   .   
48.40005087   322   .   
48.41318115   339   .   
48.42631143   321   .   
48.43944171   321   .   
48.452572   299   .   
48.46570228   316   .   
48.47883256   334   .   
48.49196285   339   .   
48.50509313   306   .   
48.51822341   310   .   
48.53135369   305   .   
48.54448398   308   .   
48.55761426   299   .   
48.57074454   328   .   
48.58387482   311   .   
48.59700511   341   .   
48.61013539   321   .   
48.62326567   334   .   
48.63639595   331   .   
48.64952624   348   .   
48.66265652   306   .   
48.6757868   328   .   
48.68891709   319   .   
48.70204737   283   .   
48.71517765   280   .   
48.72830793   304   .   
48.74143822   286   .   
48.7545685   306   .   
48.76769878   280   .   
48.78082906   283   .   
48.79395935   275   .   
48.80708963   295   .   
48.82021991   269   .   
48.8333502   264   .   
48.84648048   304   .   
48.85961076   261   .   
48.87274104   274   .   
48.88587133   246   .   
48.89900161   285   .   
48.91213189   304   .   
48.92526217   327   .   
48.93839246   293   .   
48.95152274   289   .   
48.96465302   311   .   
48.9777833   304   .   
48.99091359   286   .   
49.00404387   304   .   
49.01717415   298   .   
49.03030444   325   .   
49.04343472   320   .   
49.056565   307   .   
49.06969528   295   .   
49.08282557   341   .   
49.09595585   319   .   
49.10908613   326   .   
49.12221641   344   .   
49.1353467   324   .   
49.14847698   341   .   
49.16160726   364   .   
49.17473754   337   .   
49.18786783   355   .   
49.20099811   405   .   
49.21412839   400   .   
49.22725868   373   .   
49.24038896   388   .   
49.25351924   341   .   
49.26664952   351   .   
49.27977981   338   .   
49.29291009   353   .   
49.30604037   336   .   
49.31917065   336   .   
49.33230094   286   .   
49.34543122   331   .   
49.3585615   346   .   
49.37169178   317   .   
49.38482207   309   .   
49.39795235   297   .   
49.41108263   333   .   
49.42421292   314   .   
49.4373432   304   .   
49.45047348   317   .   
49.46360376   293   .   
49.47673405   333   .   
49.48986433   326   .   
49.50299461   334   .   
49.51612489   320   .   
49.52925518   301   .   
49.54238546   328   .   
49.55551574   328   .   
49.56864602   303   .   
49.58177631   300   .   
49.59490659   280   .   
49.60803687   344   .   
49.62116716   312   .   
49.63429744   324   .   
49.64742772   340   .   
49.660558   297   .   
49.67368829   326   .   
49.68681857   349   .   
49.69994885   312   .   
49.71307913   270   .   
49.72620942   284   .   
49.7393397   270   .   
49.75246998   299   .   
49.76560027   265   .   
49.77873055   285   .   
49.79186083   270   .   
49.80499111   272   .   
49.8181214   276   .   
49.83125168   262   .   
49.84438196   276   .   
49.85751224   261   .   
49.87064253   257   .   
49.88377281   271   .   
49.89690309   267   .   
49.91003337   243   .   
49.92316366   250   .   
49.93629394   230   .   
49.94942422   250   .   
49.96255451   256   .   
49.97568479   271   .   
49.98881507   272   .   


data_DILIST

loop_
_icdd_PDF_comment_type
_icdd_PDF_comment
D2  'Pawley'

#
# DILIST
#

loop_
      _pd_meas_2theta_scan
      _pd_peak_intensity
      _refln_index_h
      _refln_index_k
      _refln_index_l
      _icdd_PDF_dilist_ied
7.0397   19   1   0   0   .   
9.39   17   1   0   -2   .   
11.0444   21   0   0   2   .   
12.4099   38   2   0   -2   .   
14.0906   11   2   0   0   .   
16.047   29   0   1   1   .   
16.2702   49   1   1   -1   .   
16.6116   64   1   1   0   .   
17.7671   48   1   1   -2   .   
17.8721   48   3   0   -2   .   
18.6994   100   1   1   1   .   
18.8569   82   2   0   -4   .   
19.3033   27M   1   0   -4   .   
19.3033   M   2   1   -1   .   
19.5397   10   2   1   -2   .   
20.6689   64M   2   1   0   .   
20.6689   M   1   1   -3   .   
20.9052   13   3   0   -4   .   
21.2335   9   2   1   -3   .   
21.9819   35   1   1   2   .   
22.1526   56M   2   0   2   .   
22.1526   M   0   0   4   .   
22.4284   20   0   1   3   .   
23.2687   11   2   1   1   .   
23.4263   9   3   1   -2   .   
24.0302   7   3   1   -3   .   
24.1484   8   3   1   -1   .   
24.2403   10   4   0   -2   .   
24.5423   30   1   1   -4   .   
24.9494   14   4   0   -4   .   
25.8685   23   3   1   -4   .   
26.0786   7   3   1   0   .   
26.6694   7   1   0   4   .   
26.8533   7   0   1   4   .   
27.9562   6   2   1   -5   .   
28.3764   21   4   0   0   .   
28.4289   23   2   0   -6   .   
28.6784   14   3   1   -5   .   
28.9804   11   3   1   1   .   
29.0198   11   1   1   -5   .   
29.243   13   4   1   -4   .   
29.9651   8   4   1   -1   .   
30.1358   14   4   0   -6   .   
30.1883   16   5   0   -4   .   
30.753   6   1   1   4   .   
30.8449   8   0   2   1   .   
30.9762   9   1   2   -1   .   
31.0287   10   5   0   -2   .   
31.0549   10   2   1   3   .   
31.7377   8   0   1   5   .   
31.7902   9   1   2   -2   .   
32.3548   11   0   2   2   .   
32.6306   13   3   1   2   .   
33.8386   7   4   1   -6   .   
33.878   7   5   1   -4   .   
34.4557   5   1   2   2   .   
34.9153   5   5   1   -5   .   
35.3092   6   2   2   1   .   
35.6899   11   5   0   0   .   
35.8212   10   3   2   -3   .   
36.1889   5   1   2   -4   .   
36.4515   5   3   1   -7   .   
36.7929   5   5   1   -6   .   
37.305   5   1   2   3   .   
37.817   9   6   0   -6   .   
37.8958   9   1   0   6   .   
38.9988   4   4   2   -3   .   
39.1826   5   4   2   -2   .   
39.3927   6   6   1   -4   .   
39.4321   6   3   2   1   .   
39.7472   5   5   0   -8   .   
39.8785   6   6   1   -3   .   
41.0208   5   3   1   -8   .   
41.244   5   4   1   -8   .   
41.4673   5   3   1   4   .   
41.9793   4   4   2   0   .   
42.2551   4   0   1   7   .   
42.5571   5   6   0   -8   .   
42.7278   7   5   1   -8   .   
43.0823   6   7   0   -6   .   
43.1479   7   6   0   0   .   
43.2924   5   1   2   -6   .   
44.8417   8   2   2   4   .   
45.3932   7   6   1   -8   .   
45.774   5   0   2   6   .   
46.4042   5   7   0   -8   .   
46.4962   7   1   1   7   .   
47.9274   5   5   2   -7   .   
48.1374   5   7   1   -2   .   
49.201   4   6   1   1   .   
49.6868   4   1   0   8   .