(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o703-o705 [ doi:10.1107/S160053680200942X ]

cis-1,2-Dibromo-1,2-diphenylethene-diphenylethyne (2/1)

J. C. Barnes and J. A. Chudek

Online 31 May 2002

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.006 Å
R factor = 0.055
wR factor = 0.148
Data-to-parameter ratio = 17.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



ABSTM_02  Alert C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10     
          Tmin and Tmax reported:      0.946     0.999                          
          Tmin and Tmax expected:      0.335     0.494                          
          RR =      1.395                                                       
          Please check that your absorption correction is appropriate.          

RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.103                                                    

PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(21)  -   C(22)  =       1.44 Ang.

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      0.495                            
          Tmax scaled      0.494 Tmin scaled      0.468                         


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 3 Alert Level C = Please check