(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o65-o66 [ doi:10.1107/S1600536801019791 ]

(2S,3S)-2-Benzyl-3-(nosylamino)butano-4-lactone

I. A. Guzei, J. M. Langenhan and Y. J. Chung

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.003 Å
R factor = 0.029
wR factor = 0.073
Data-to-parameter ratio = 11.1

checkCIF results

No syntax errors found



ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_716  Alert C H...A   Unknown or Inconsistent Label ........       C~G~B
                           H2     C~G~B

PLAT_716  Alert C H...A   Unknown or Inconsistent Label ........       C~G~A
                           H14    C~G~A

PLAT_717  Alert C D...A   Unknown or Inconsistent Label ........       C~G~B
                           C2     C~G~B

PLAT_717  Alert C D...A   Unknown or Inconsistent Label ........       C~G~A
                           C14    C~G~A

PLAT_718  Alert C D-H..A  Unknown or Inconsistent label ........       C~G~B
                           C2     H2     C~G~B

PLAT_718  Alert C D-H..A  Unknown or Inconsistent label ........       C~G~A
                           C14    H14    C~G~A

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.40                 
         From the CIF: _reflns_number_total               3312                  
         Count of symmetry unique reflns         1986                           
         Completeness (_total/calc)            166.77%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1326                           
         Fraction of Friedel pairs measured     0.668                           
         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

 6 Alert Level C = Please check