(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1169-o1171 [ doi:10.1107/S1600536802017683 ]

(+)-(3S,4R)-Norcisapride hydrogen (2R,3R)-tartrate monohydrate

O. M. Peeters and N. M. Blaton

Online 30 September 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.037
wR factor = 0.107
Data-to-parameter ratio = 8.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



ABSTM_02  Alert C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90    
          Tmin and Tmax reported:      0.325     0.593                          
          Tmin' and Tmax expected:      0.373     0.593                         
          RR' =      0.872                                                      
          Please check that your absorption correction is appropriate.          

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           69.02                 
         From the CIF: _reflns_number_total               2350                  
         Count of symmetry unique reflns         2234                           
         Completeness (_total/calc)            105.19%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       116                           
         Fraction of Friedel pairs measured     0.052                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check