(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o148-o150 [ doi:10.1107/S1600536802000338 ]

3(S)-Acetoxymethyl-7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one

A. Visnjevac, A. Avdagic and B. Kojic-Prodic

Online 18 January 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.012 Å
R factor = 0.052
wR factor = 0.154
Data-to-parameter ratio = 7.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.113                                                    

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.30                 
         From the CIF: _reflns_number_total               1796                  
         Count of symmetry unique reflns         1801                           
         Completeness (_total/calc)             99.72%                          
         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          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check