(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o925-o927 [ doi:10.1107/S160053680101457X ]

(1S,2S,3R,6S,7R)-3,6-Epoxyhimachalane-2,7-diol

H. El Jamili, A. Auhmani, M. Dakir, A. Benharref, E. Kossareva and M. Pierrot

Online 20 septembre 2001

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R factor = 0.037
wR factor = 0.090
Data-to-parameter ratio = 8.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



EXPT_002  Alert A _exptl_crystal_density_meas is missing, although a method     
          has been given. Density measured experimentally (Mg m-3).             
          The following tests will not be performed.                            
          DENSX_01                                                              

CELLV_02  Alert A The supplied cell volume s.u. differs from that               
          calculated from the cell parameter s.u.'s by > 8                      
          Calculated cell volume su =      26.91                                
          Cell volume su given      =       3.00                                


 Alert Level B:



DENSM_01  Alert B _exptl_crystal_density_method is given but no value of        
          _exptl_crystal_density_meas is reported.                              

PLAT_707  Alert B D...A   Calc    3.007(4), Rep    3.018(3), Dev.      2.75 Sigma
                     O56  -O56     1.555   2.674


 Alert Level C:



CRYSC_01  Alert C The word below has not been recognised as a standard          
          identifier.                                                           
          incolore                                                              

CRYSC_01  Alert C No recognised colour has been given for crystal colour.       

PLAT_726  Alert C H...A   Calc     2.05171, Rep    2.062(2), Dev.      0.01 Ang.
                     H56  -O56     1.555   2.674

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.34                 
         From the CIF: _reflns_number_total               3985                  
         Count of symmetry unique reflns         4186                           
         Completeness (_total/calc)             95.20%                          
         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.          


 2 Alert Level A = Potentially serious problem

 2 Alert Level B = Potential problem

 3 Alert Level C = Please check