(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o224-o226 [ doi:10.1107/S1600536802001952 ]

Methyl (2'R,3'R)-6-deoxy-3,4-O-(2',3'-dimethoxybutane-2',3'-diyl)-2-O-toluene-p-sulfonyl--L-mannopyranoside

J. C. Barnes, J. S. Brimacombe, L. M. C. Connolly and A. P. Dix

Online 8 February 2002

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.005 Å
R factor = 0.069
wR factor = 0.122
Data-to-parameter ratio = 18.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.25                 
         From the CIF: _reflns_number_total               5177                  
         From the CIF: _diffrn_reflns_limit_ max hkl    9.   18.   24.          
         From the CIF: _diffrn_reflns_limit_ min hkl   -9.  -18.  -24.          
         TEST1: Expected hkl limits for theta max                               
         Calculated maximum hkl   11.   18.   24.                               
         Calculated minimum hkl  -11.  -18.  -24.                               
          ALERT: Expected hkl max differ from CIF values                        

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.25                 
         From the CIF: _reflns_number_total               5177                  
         Count of symmetry unique reflns         3127                           
         Completeness (_total/calc)            165.56%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2050                           
         Fraction of Friedel pairs measured     0.656                           
         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.