(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o969-o971 [ doi:10.1107/S1600536802013570 ]

cis-2,4-Dinitro-6,8-dipropionyl-1H,5H-2,4,6,8-tetraazabicyclo[3.3.0]octane, a precursor of the energetic compound `bicyclo-HMX'

R. Gilardi, C. George and R. Evans

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.004 Å
Disorder of main residue
R factor = 0.051
wR factor = 0.139
Data-to-parameter ratio = 11.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           67.00                 
         From the CIF: _reflns_number_total               2410                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         2548                           
         Completeness (_total/calc)             94.58%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check