(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o865-o867 [ doi:10.1107/S1600536803009292 ]

(S)-2,2'-Bis(4-nitro-2-pyridyloxy)-1,1'-binaphthalene

R. Wang, L. Xu, G. Chen, Z. Zhou, M. Hong, R. Cao and A. S. C. Chan

Online 23 May 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.037
wR factor = 0.092
Data-to-parameter ratio = 7.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.52                 
         From the CIF: _reflns_number_total               3405                  
         Count of symmetry unique reflns         2882                           
         Completeness (_total/calc)            118.15%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       523                           
         Fraction of Friedel pairs measured     0.181                           
         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.