(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o901-o902 [ doi:10.1107/S1600536803010948 ]

N,N'-Bis(4-biphenylyl)urea

S. George and A. Nangia

Online 31 May 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.043
wR factor = 0.133
Data-to-parameter ratio = 17.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.42                 
         From the CIF: _reflns_number_total               4296                  
         Count of symmetry unique reflns         2215                           
         Completeness (_total/calc)            193.95%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2081                           
         Fraction of Friedel pairs measured     0.940                           
         Are heavy atom types Z>Si present           no                         
          ALERT: MoKa measured Friedel data cannot be used to                   
                 determine absolute structure in a light-atom                   
                 study EXCEPT under VERY special conditions.                    
                 It is preferred that Friedel data is merged in such cases.