(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o594-o595 [ doi:10.1107/S1600536801009710 ]

[3E]-3-Deoxy-3-C-ethoxycarbonylmethylene-1,2:5,6-di-O-isopropylidene--D-ribohexofuranose

A. Linden, C. K. Lee and K. F. Siew

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.012 Å
R factor = 0.064
wR factor = 0.200
Data-to-parameter ratio = 7.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_360  Alert B Short  C(sp3)-C(sp3) Bond  C(15)  -   C(16)  =       1.32 Ang.

Author response: As discussed in the Comment and exptl_refinement sections, the ethyl ester group is probably disordered, but the data quality does not permit a rational modelling of the disorder.

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.00                 
         From the CIF: _reflns_number_total               1588                  
         Count of symmetry unique reflns         1590                           
         Completeness (_total/calc)             99.87%                          
         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

 0 Alert Level C = Please check