Information card for entry 7231057

Structure parameters

• Formula: C8 H6 N12 O10
• Calculated formula: C8 H6 N12 O10
• Title of publication: Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties
• Authors of publication: Sun, Qi; Lin, Qiuhan; Lu, Ming
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 30
• Pages of publication: 4321
• a: 4.5145 ± 0.0004 Å
• b: 12.0237 ± 0.0011 Å
• c: 28.87 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1567.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No