(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o498-o500 [ doi:10.1107/S1600536803005646 ]

(6R,9S,13R,14S)-7,8-Didehydro-3,7-dimethoxy-17-methyl-6-phenylmorphinan-4,6-diol

C.-B. Li, W.-Q. Zhang and C. Wang

Online 21 March 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.044
wR factor = 0.106
Data-to-parameter ratio = 14.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.03                 
         From the CIF: _reflns_number_total               3861                  
         Count of symmetry unique reflns         2201                           
         Completeness (_total/calc)            175.42%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1660                           
         Fraction of Friedel pairs measured     0.754                           
         Are heavy atom types Z>Si present           no                         
          ALERT: MoKa measured Friedel data cannot be used to                   
                 determine absolute structure in a light-atom                   
                 study EXCEPT under VERY special conditions.                    
                 It is preferred that Friedel data is merged in such cases.