(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o353-o354 [ doi:10.1107/S1600536802003628 ]

2H-Thiochromen-2-one

P. Munshi and T. N. Guru Row

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.029
wR factor = 0.072
Data-to-parameter ratio = 13.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.02                 
         From the CIF: _reflns_number_total               1304                  
         Count of symmetry unique reflns          663                           
         Completeness (_total/calc)            196.68%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       641                           
         Fraction of Friedel pairs measured     0.967                           
         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.