(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o606-o608 [ doi:10.1107/S1600536802007754 ]

A derivative of diosgenin: (25R)-23-acetyl-3-bromo-16-acetoxy-22,26-epoxy-5-cholest-22-en-6-one

A. Castro-Méndez, J. Sandoval-Ramírez and S. Bernès

Online 11 May 2002

Key indicators

Single-crystal X-ray study
T = 300 K
Mean (C-C) = 0.007 Å
R factor = 0.056
wR factor = 0.139
Data-to-parameter ratio = 17.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_031  Alert C Refined Extinction parameter within range ....       2.80 Sigma

PLAT_213  Alert C Atom O30     has ADP max/min Ratio ...........       3.50 prolate

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.25                 
         From the CIF: _reflns_number_total               5918                  
         Count of symmetry unique reflns         3412                           
         Completeness (_total/calc)            173.45%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2506                           
         Fraction of Friedel pairs measured     0.734                           
         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.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check