(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o590-o591 [ doi:10.1107/S160053680200764X ]

N,N-Bis(trifluoromethylsulfonyl)aniline

J. W. Bats, J. P. Weyrauch and A. S. K. Hashmi

Online 11 May 2002

Key indicators

Single-crystal X-ray study
T = 143 K
Mean (C-C) = 0.001 Å
R factor = 0.026
wR factor = 0.069
Data-to-parameter ratio = 25.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



ABSTY_01  Extra text has been found in the _exptl_absorpt_correction_type       
          field, which should be only a single keyword. A literature            
          citation should be included in the _exptl_absorpt_process_details     
          field.                                                                

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           35.00                 
         From the CIF: _reflns_number_total               2529                  
         Count of symmetry unique reflns         1442                           
         Completeness (_total/calc)            175.38%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1087                           
         Fraction of Friedel pairs measured     0.754                           
         Are heavy atom types Z>Si present          yes                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.