Information card for entry 7236312

Structure parameters

• Formula: C6 H4 N8 O8
• Calculated formula: C6 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: 10.523 ± 0.007 Å
• b: 5.429 ± 0.004 Å
• c: 10.246 ± 0.007 Å
• α: 90°
• β: 105.233 ± 0.01°
• γ: 90°
• Cell volume: 564.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No