Information card for entry 2009759

Structure parameters

• Formula: C4 H6 N8 O4
• Calculated formula: C4 H6 N8 O4
• SMILES: C1(=NN(=O)=O)NC2C(NC(=NN(=O)=O)N2)N1
• Title of publication: A high-density thermally stable explosive: octahydro-2,5-bis(nitroimino)imidazo[4,5-<i>d</i>]imidazole
• Authors of publication: Flippen-Anderson, Judith L.; Kony, Michael; Dagley, Ian J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 974 - 976
• a: 14.402 ± 0.002 Å
• b: 27.795 ± 0.004 Å
• c: 4.152 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1662.1 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.1238
• Goodness-of-fit parameter for all reflections: 1.147
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No