Information card for entry 7057449

Structure parameters

• Formula: C5 H2 N8 O4
• Calculated formula: C5 H2 N8 O4
• Title of publication: Synthesis and thermal behavior of a fused, tricyclic pyridine-based energetic material: 4-amino-5-nitro-[1,2,5]oxadiazolo[3,4-e]tetra-zolo[1,5-a]pyridine-3-oxide
• Authors of publication: Ma, Congming; Pan, Yong; Jiang, Juncheng; Liu, Zuliang; Yao, Qizheng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11259
• a: 8.913 ± 0.0018 Å
• b: 14.057 ± 0.003 Å
• c: 6.573 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 823.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No