(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o913-o915 [ doi:10.1107/S1600536801014131 ]

2,5-Dinitro-7,9-dioxa-2,5-diazabicyclo[4.3.0]nonan-8-one

R. D. Gilardi and R. J. Butcher

Online 11 September 2001

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
Disorder in main residue
R factor = 0.045
wR factor = 0.111
Data-to-parameter ratio = 6.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_213  Alert C Atom PLAT_301  Alert C Main Residue Disorder ........................      11.00 Perc.

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.48                 
         From the CIF: _reflns_number_total               1049                  
         Count of symmetry unique reflns         1048                           
         Completeness (_total/calc)            100.10%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         1                           
         Fraction of Friedel pairs measured     0.001                           
         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.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check