(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o227-o228 [ doi:10.1107/S1600536802001940 ]

Methyl (2'R,3'R)-2-azido-2,6-dideoxy-3,4-O-(2',3'-dimethoxybutane-2',3'-diyl)--L-glucopyranoside

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) = 0.006 Å
R factor = 0.032
wR factor = 0.058
Data-to-parameter ratio = 7.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.97                 
         From the CIF: _reflns_number_total               2861                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3243                           
         Completeness (_total/calc)             88.22%                          
          Alert B: < 90% complete (theta max?)                                  


 Alert Level C:



GOODF_01  Alert C The least squares goodness of fit parameter lies              
          outside the range 0.80 <> 2.00                                        
          Goodness of fit given =      0.723                                    

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.97                 
         From the CIF: _reflns_number_total               2861                  
         From the CIF: _diffrn_reflns_limit_ max hkl   10.   11.   30.          
         From the CIF: _diffrn_reflns_limit_ min hkl  -10.   -9.  -34.          
         TEST1: Expected hkl limits for theta max                               
         Calculated maximum hkl   11.   12.   36.                               
         Calculated minimum hkl  -11.  -12.  -36.                               
          ALERT: Expected hkl max differ from CIF values                        

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.97                 
         From the CIF: _reflns_number_total               2861                  
         Count of symmetry unique reflns         3243                           
         Completeness (_total/calc)             88.22%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present           no                         
          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

 1 Alert Level B = Potential problem

 1 Alert Level C = Please check