Information card for entry 7236311

Structure parameters

• Formula: C6 H4 N8 O10
• Calculated formula: C6 H4 N8 O10
• 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: 7.6782 ± 0.0004 Å
• b: 10.4292 ± 0.0006 Å
• c: 8.3545 ± 0.0004 Å
• α: 90°
• β: 112.18 ± 0.003°
• γ: 90°
• Cell volume: 619.5 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.053
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No