(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2003). E59, o910-o912 [ doi:10.1107/S1600536803011681 ]

(R)-(+)-2,2'-Diamino-1,1'-binaphthyl

M. D. Jones, F. A. Almeida Paz, J. E. Davies and B. F. G. Johnson

Online 10 June 2003

Key indicators

Single-crystal X-ray study
T = 180 K
Mean (C-C) = 0.002 Å
R factor = 0.036
wR factor = 0.100
Data-to-parameter ratio = 9.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_420  Alert C D-H Without Acceptor       N(1)   -   H(1A)             ?

PLAT_420  Alert C D-H Without Acceptor       N(1)   -   H(1B)             ?

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.49                 
         From the CIF: _reflns_number_total               1635                  
         Count of symmetry unique reflns         1092                           
         Completeness (_total/calc)            149.73%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       543                           
         Fraction of Friedel pairs measured     0.497                           
         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.     


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check