Acta Cryst. (2002). E58, o198-o199  [ doi:10.1107/S1600536802001320 ]

(1R*,3R*,6S*)-3,6-Dihydro-3,6-dimethyl-2-(toluene-4-sulfonyl)-1⁴,2-thiazine 1-oxide

L. K. Hansen, A. Bayer and O. R. Gautun

Online 31 January 2002

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.038
• wR factor = 0.117
• Data-to-parameter ratio = 13.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.00                 
         From the CIF: _reflns_number_total               2275                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         2503                           
         Completeness (_total/calc)             90.89%                          
          Alert C: < 95% complete                                               

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.00                 
         From the CIF: _reflns_number_total               2275                  
         From the CIF: _diffrn_reflns_limit_ max hkl    9.   14.   13.          
         From the CIF: _diffrn_reflns_limit_ min hkl    0.    0.  -14.          
         TEST1: Expected hkl limits for theta max                               
         Calculated maximum hkl   11.   14.   14.                               
         Calculated minimum hkl  -11.  -14.  -14.                               
          ALERT: Expected hkl max differ from CIF values                        


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

Copyright © International Union of Crystallography
IUCr Webmaster