(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o544-o545 [ doi:10.1107/S1600536802006098 ]

(R)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoamino]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl

R. Guo, T. T. L. Ao-Yueng, M. C. K. Choi and Z. Zhou

Online 25 April 2002

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.007 Å
R factor = 0.051
wR factor = 0.102
Data-to-parameter ratio = 20.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.105                                                    

PLAT_360  Alert C Short  C(sp3)-C(sp3) Bond  C(5)   -   C(6)   =       1.43 Ang.

PLAT_360  Alert C Short  C(sp3)-C(sp3) Bond  C(6)   -   C(7)   =       1.37 Ang.

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           27.59                 
         From the CIF: _reflns_number_total              10453                  
         Count of symmetry unique reflns         5821                           
         Completeness (_total/calc)            179.57%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      4632                           
         Fraction of Friedel pairs measured     0.796                           
         Are heavy atom types Z>Si present          yes                         
          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

 5 Alert Level C = Please check