(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o733-o734 [ doi:10.1107/S1600536802009923 ]

Ethyl 4-tert-butyl-2-(3-phenylureido)-1,3-thiazole-5-carboxylate

D. E. Lynch and I. McClenaghan

Online 8 June 2002

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.006 Å
R factor = 0.050
wR factor = 0.136
Data-to-parameter ratio = 12.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



GOODF_01  Alert C The least squares goodness of fit parameter lies              
          outside the range 0.80 <> 2.00                                        
          Goodness of fit given =      0.794                                    

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.98                 
         From the CIF: _reflns_number_total               2867                  
         Count of symmetry unique reflns         1793                           
         Completeness (_total/calc)            159.90%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1074                           
         Fraction of Friedel pairs measured     0.599                           
         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

 1 Alert Level C = Please check