(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o557-o559 [ doi:10.1107/S1600536802006736 ]

(2S,1'S)-2-[1-(2,3-Dimethoxyphenyl)-1-hydroxy-3-oxo-1,3-dihydroisoindol-2-yl]-N,N-diethylpropionamide: reaction of phthalimido-protected alanine amides with lithiated 1,2-dimethoxybenzene

P. G. Jones, K. Woydowski and J. Liebscher

Online 25 April 2002

Key indicators

Single-crystal X-ray study
T = 143 K
Mean (C-C) = 0.005 Å
R factor = 0.053
wR factor = 0.110
Data-to-parameter ratio = 10.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.52                 
         From the CIF: _reflns_number_total               2895                  
         Count of symmetry unique reflns         2900                           
         Completeness (_total/calc)             99.83%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present           no                         
          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.