(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o81-o82 [ doi:10.1107/S1600536801021389 ]

Twinned 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenyl)propyl)piperazinium chloride (GBR12909)

J. L. Flippen-Anderson, J. R. Deschamps, C. George, J. E. Folk, A. E. Jacobson and K. C. Rice

Online 22 December 2001

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R factor = 0.065
wR factor = 0.190
Data-to-parameter ratio = 14.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           67.24                 
         From the CIF: _reflns_number_total               9044                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns        10025                           
         Completeness (_total/calc)             90.21%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check