(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o232-o234 [ doi:10.1107/S1600536802002222 ]

(1R,2S)-3-Methyl-2-(p-methylphenylsulfonylamino)-1-phenylbutan-1-ol

X. Li, X. Jia and Z. Zhou

Online 8 February 2002

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.004 Å
R factor = 0.045
wR factor = 0.089
Data-to-parameter ratio = 19.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.55                 
         From the CIF: _reflns_number_total               3952                  
         Count of symmetry unique reflns         2308                           
         Completeness (_total/calc)            171.23%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1644                           
         Fraction of Friedel pairs measured     0.712                           
         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.