(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o1196-o1197 [ doi:10.1107/S1600536801017019 ]

(2S)-1-(4-Fluorophenyl)-2-hydroxy-2-[(2S,5R)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone

M. E. Light and M. B. Hursthouse

Online 17 November 2001

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.005 Å
R factor = 0.049
wR factor = 0.113
Data-to-parameter ratio = 13.3

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               5012                  
         Count of symmetry unique reflns         2630                           
         Completeness (_total/calc)            190.57%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2382                           
         Fraction of Friedel pairs measured     0.906                           
         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.