(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o519-o521 [ doi:10.1107/S1600536803004720 ]

trans-(3R,2aS)-(-)-3-Phenyl-2,3,5,6,7,8-hexahydro-oxazolo[3,2-a]pyridine-5-thione

L.-F. Roa, D. Gnecco, A. Galindo, J. Juárez, J. L. Terán and S. Bernès

Online 31 March 2003

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.006 Å
R factor = 0.058
wR factor = 0.167
Data-to-parameter ratio = 22.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_360  Alert C Short  C(sp3)-C(sp3) Bond  C(6)   -   C(7)   =       1.41 Ang.

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.74                 
         From the CIF: _reflns_number_total               3247                  
         Count of symmetry unique reflns         1873                           
         Completeness (_total/calc)            173.36%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1374                           
         Fraction of Friedel pairs measured     0.734                           
         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