(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o455-o457 [ doi:10.1107/S1600536803005385 ]

(1R,2R)-(+)-1,2-Diphenylethylenediamine

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

Online 14 March 2003

Key indicators

Single-crystal X-ray study
T = 180 K
Mean (C-C) = 0.003 Å
R factor = 0.035
wR factor = 0.082
Data-to-parameter ratio = 7.7

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(2)   -   H(2A)             ?

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.99                 
         From the CIF: _reflns_number_total               1229                  
         Count of symmetry unique reflns         1235                           
         Completeness (_total/calc)             99.51%                          
         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           no                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check