Information card for entry 7236370

Structure parameters

• Formula: C10 H6 N12 O8
• Calculated formula: C10 H6 N12 O8
• Title of publication: Bridged bisnitramide-substituted furazan-based energetic materials
• Authors of publication: Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 43
• Pages of publication: 16961
• a: 9.2994 ± 0.0008 Å
• b: 8.8927 ± 0.0008 Å
• c: 9.8472 ± 0.0009 Å
• α: 90°
• β: 100.317 ± 0.003°
• γ: 90°
• Cell volume: 801.17 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No