(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o1255-o1257 [ doi:10.1107/S1600536801019559 ]

(4R,5R)-2-(N-Methyl-benzylamino)-3-nitro-4-(1',2',3',4',5'-penta-O-acetyl-D-manno-pentitol-1-yl)-5-phenyl-5-phenylcarbamoyl-4,5-dihydrothiophene at 150 K

M. J. Diánez, M. D. Estrada, A. López-Castro and S. Pérez-Garrido

Online 30 November 2001

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.005 Å
R factor = 0.041
wR factor = 0.108
Data-to-parameter ratio = 9.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



DIFF_012  Alert A _diffrn_reflns_av_R_equivalents is missing                    
          R factor for symmetry-equivalent intensities.                         
          The following tests will not be performed                             
          RINTA                                                                 

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.98                 
         From the CIF: _reflns_number_total               5019                  
         Count of symmetry unique reflns         5025                           
         Completeness (_total/calc)             99.88%                          
         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                    


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 0 Alert Level C = Please check