Information card for entry 7236313

Structure parameters

• Formula: C7 H4 N8 O8
• Calculated formula: C7 H4 N8 O8
• Title of publication: N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials
• Authors of publication: Zhang, Jiaheng; Yin, Ping; 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: 19
• Pages of publication: 7430
• a: 12.7227 ± 0.0014 Å
• b: 11.8045 ± 0.0013 Å
• c: 8.1445 ± 0.0009 Å
• α: 90°
• β: 96.2 ± 0.004°
• γ: 90°
• Cell volume: 1216 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No