(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o616-o618 [ doi:10.1107/S1600536803007281 ]

3-(6-Benzoyl-2-oxo-2,3-dihydro-2-benzothiazol-3-yl)propanoic acid

A. Aydin, T. Önkol, C. Arici, M. Akkurt, M. F. Sahín and D. Ülkü

Online 16 April 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.056
wR factor = 0.190
Data-to-parameter ratio = 13.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.29                 
         From the CIF: _reflns_number_total               2818                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3067                           
         Completeness (_total/calc)             91.88%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check