(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o767-o768 [ doi:10.1107/S1600536802010759 ]

(4S,5S)-2-Benzyloxy-4-methyl-5-(4-tolylthiocarbonyl)oxazoline

W. Clegg and L. Horsburgh

Online 21 June 2002

Key indicators

Single-crystal X-ray study
T = 160 K
Mean (C-C) = 0.003 Å
R factor = 0.030
wR factor = 0.079
Data-to-parameter ratio = 15.4

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:      0.750     0.928                          
          Tmin' and Tmax expected:      0.901     0.936                         
          RR' =      0.839                                                      
          Please check that your absorption correction is appropriate.          

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.70                 
         From the CIF: _reflns_number_total               3382                  
         Count of symmetry unique reflns         2536                           
         Completeness (_total/calc)            133.36%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       846                           
         Fraction of Friedel pairs measured     0.334                           
         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