(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1065-o1067 [ doi:10.1107/S1600536802015763 ]

9-(Thio-2'-methyl-4'-nitrophenyl) acridine

A. Mrozek, J. Karolak-Wojciechowska, P. Amiel and J. Barbe

Online 13 September 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.058
wR factor = 0.166
Data-to-parameter ratio = 10.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           80.91                 
         From the CIF: _reflns_number_total               2469                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3642                           
         Completeness (_total/calc)             67.79%                          
          Alert A: < 85% complete (theta max?)                                  

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           80.91                 
         From the CIF: _reflns_number_total               2469                  
         From the CIF: _diffrn_reflns_limit_ max hkl    0.    0.   30.          
         From the CIF: _diffrn_reflns_limit_ min hkl   -8.   -9.  -27.          
         TEST1: Expected hkl limits for theta max                               
         Calculated maximum hkl   12.    9.   30.                               
         Calculated minimum hkl  -12.   -9.  -30.                               
          ALERT: Expected hkl max differ from CIF values                        


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 0 Alert Level C = Please check