(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1133-o1135 [ doi:10.1107/S1600536802016793 ]

3-Pentafluorothiopropionic acid

A. F. T. Yokochi, R. Winter and G. Gard

Online 27 September 2002

Key indicators

Single-crystal X-ray study
T = 290 K
Mean (C-C) = 0.008 Å
R factor = 0.056
wR factor = 0.138
Data-to-parameter ratio = 10.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



PLAT_031  Alert A Refined Extinction parameter within range ....       0.33 Sigma


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           67.33                 
         From the CIF: _reflns_number_total               1151                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         1218                           
         Completeness (_total/calc)             94.50%                          
          Alert C: < 95% complete                                               


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check