(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o310-o311 [ doi:10.1107/S1600536802000971 ]

(2R,3R)-2-(4-Methoxyphenyl)-3-{1-[(3aS)-(3a,6,7a)-hexahydro-8,8-dimethyl-3H-3a,6-methano-2,2-dioxo-2,1-benzoisothiazolyl]carbonyl}-4-isopropoxycarbonyl-5-methyl-2,2-dihydrofuran

F. Garzino, A. Méou, P. Brun and G. Pèpe

Online 22 February 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.057
wR factor = 0.127
Data-to-parameter ratio = 19.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



CELLV_02  Alert C The supplied cell volume s.u. differs from that               
          calculated from the cell parameter s.u.'s by > 2                      
          Calculated cell volume su =      14.50                                
          Cell volume su given      =      12.00                                

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.63                 
         From the CIF: _reflns_number_total               6413                  
         Count of symmetry unique reflns         3709                           
         Completeness (_total/calc)            172.90%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2704                           
         Fraction of Friedel pairs measured     0.729                           
         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.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check