Information card for entry 7236572

Structure parameters

• Formula: C8 H8 N12 O6
• Calculated formula: C8 H8 N12 O6
• Title of publication: Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability
• Authors of publication: Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 11063
• a: 4.7289 ± 0.0006 Å
• b: 10.5845 ± 0.0012 Å
• c: 14.3425 ± 0.0019 Å
• α: 90°
• β: 90.185 ± 0.005°
• γ: 90°
• Cell volume: 717.88 ± 0.15 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No