(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o542-o543 [ doi:10.1107/S1600536802006499 ]

(1R,2R,5R,6S)-5,6-Bis(4-methoxybenzyloxymethyl)-2-(methylphenylamino)cyclohex-3-enyl 4-bromobenzoate

M. Lautens, A. J. Lough and K. Fagnou

Online 25 April 2002

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.009 Å
R factor = 0.060
wR factor = 0.150
Data-to-parameter ratio = 12.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.00                 
         From the CIF: _reflns_number_total              10534                  
         Count of symmetry unique reflns         5818                           
         Completeness (_total/calc)            181.06%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      4716                           
         Fraction of Friedel pairs measured     0.811                           
         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.