(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o170-o171 [ doi:10.1107/S1600536801021353 ]

2,5-Dibromo-6-isopropyl-3-methyl-p-benzoquinone

L. Esser, Z. Otwinowski and H. Kim

Online 25 January 2002

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.006 Å
R factor = 0.024
wR factor = 0.064
Data-to-parameter ratio = 16.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.36                 
         From the CIF: _reflns_number_total               2145                  
         Count of symmetry unique reflns         1169                           
         Completeness (_total/calc)            183.49%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       976                           
         Fraction of Friedel pairs measured     0.835                           
         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.