Information card for entry 7236571

Structure parameters

• Formula: C8 H6 N12 O6
• Calculated formula: C8 H6 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: 8.3476 ± 0.0006 Å
• b: 9.6589 ± 0.0007 Å
• c: 9.7715 ± 0.0008 Å
• α: 105.546 ± 0.003°
• β: 97.6 ± 0.002°
• γ: 111.74 ± 0.002°
• Cell volume: 681.05 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No