Information card for entry 7231060

Structure parameters

• Formula: C12 H10 N20 O8
• Calculated formula: C12 H10 N20 O8
• 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: 11.9711 ± 0.0012 Å
• b: 6.8493 ± 0.0006 Å
• c: 13.2618 ± 0.0012 Å
• α: 90°
• β: 102.882 ± 0.003°
• γ: 90°
• Cell volume: 1060.02 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No