(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o753-o755 [ doi:10.1107/S1600536802009844 ]

16-(2-Pyridylmethylene)androst-4-ene-3,17-dione

G. Vasuki, S. Thamotharan, V. Parthasarathi, K. Ramamurthi, S. Dubey and D. P. Jindal

Online 21 June 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.036
wR factor = 0.102
Data-to-parameter ratio = 8.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           67.99                 
         From the CIF: _reflns_number_total               4136                  
         Count of symmetry unique reflns         3800                           
         Completeness (_total/calc)            108.84%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       336                           
         Fraction of Friedel pairs measured     0.088                           
         Are heavy atom types Z>Si present           no                         
          WARNING: CuKa measured Friedel data can be used to                    
                   determine absolute structure in a light-atom                 
                   study only if the Friedel fraction is large.