Acta Cryst. (2004). E60, o1543-o1545  [ doi:10.1107/S160053680401880X ]

2,4,6-Trinitro-2,4,6,8-tetraazabicyclo[3.3.0]octan-7-one

R. J. Butcher, R. Evans and R. Gilardi

Key indicators

• Single-crystal X-ray study
• T = 94 K
• Mean (C-C) = 0.002 Å
• R factor = 0.035
• wR factor = 0.087
• Data-to-parameter ratio = 10.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O4A    ..  N4A     ..       2.81 Ang.  

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT430_ALERT_2_C Short Inter D...A Contact  O2A    ..  O4B     ..       2.89 Ang.  
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.11 Ratio 

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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