(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o302-o303 [ doi:10.1107/S1600536803002988 ]

6-Methyl-11a,12-dihydro-6H-quino[3,2-b][1,4]benzothiazine: an amidine formed under unusual conditions

R. L. Luck, K. Li and D. K. Bates

Online 14 February 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.041
wR factor = 0.099
Data-to-parameter ratio = 7.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.98                 
         From the CIF: _reflns_number_total               1214                  
         Count of symmetry unique reflns         1213                           
         Completeness (_total/calc)            100.08%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         1                           
         Fraction of Friedel pairs measured     0.001                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure