Information card for entry 2101488

Structure parameters

• Chemical name: 1,3,5,7-tetranitro-3,7-diazabicyclo[3.3.0]octane
• Formula: C6 H8 N6 O8
• Calculated formula: C6 H8 N6 O8
• Title of publication: Structure of 1,3,5,7-tetranitro-3,7-diazabicyclo-[3.3.0]octane. Structure solution from molecular packing analysis
• Authors of publication: Ammon, H. L.; Du, Z.; Gilardi, R. D.; Dave, P. R.; Forohar, F.; Axenrod, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 352 - 356
• a: 11.559 ± 0.002 Å
• b: 8.018 ± 0.001 Å
• c: 11.697 ± 0.002 Å
• α: 90°
• β: 98.01 ± 0.01°
• γ: 90°
• Cell volume: 1073.5 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 2.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No