(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o485-o487 [ doi:10.1107/S1600536803005658 ]

(RS)-Phenylsuccinic acid

A. Fischer and V. M. Profir

Online 21 March 2003

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.005 Å
R factor = 0.056
wR factor = 0.133
Data-to-parameter ratio = 13.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.49                 
         From the CIF: _reflns_number_total               3445                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         4310                           
         Completeness (_total/calc)             79.93%                          
          Alert A: < 85% complete (theta max?)                                  


 Alert Level C:



PLAT_320  Alert C Check Hybridisation of  C(13)  in Main Residue          ?


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check