(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o167-o168 [ doi:10.1107/S160053680300093X ]

A dimer of 7-cyanodibenzobarrelene

P. G. Jones, P. Bubenitschek, H. Hopf and B. Witulski

Online 17 January 2003

Key indicators

Single-crystal X-ray study
T = 178 K
Mean (C-C) = 0.009 Å
R factor = 0.073
wR factor = 0.222
Data-to-parameter ratio = 10.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



STRVAL_01                                                                       
         From the CIF: _refine_ls_abs_structure_Flack    0.400                  
         From the CIF: _refine_ls_abs_structure_Flack_su    0.200               
           Alert C Flack test results are ambiguous.                            

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.50                 
         From the CIF: _reflns_number_total               3618                  
         Count of symmetry unique reflns         3629                           
         Completeness (_total/calc)             99.70%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check