(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m310-m312 [ doi:10.1107/S1600536802009303 ]

A solution phase catalyst for an enantioselective Diels-Alder reaction

C. M. Reynoso-Paz, M. M. Olmstead, M. J. Kurth and N. E. Schore

Online 31 May 2002

Key indicators

Single-crystal X-ray study
T = 91 K
Mean (C-C) = 0.002 Å
R factor = 0.027
wR factor = 0.064
Data-to-parameter ratio = 24.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           31.50                 
         From the CIF: _reflns_number_total              11771                  
         Count of symmetry unique reflns         6810                           
         Completeness (_total/calc)            172.85%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      4961                           
         Fraction of Friedel pairs measured     0.728                           
         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.