Information card for entry 7231062

Structure parameters

• Formula: C9 H10 N16 O10
• Calculated formula: C9 H10 N16 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: 28.666 ± 0.003 Å
• b: 4.5532 ± 0.0005 Å
• c: 14.061 ± 0.0016 Å
• α: 90°
• β: 95.658 ± 0.004°
• γ: 90°
• Cell volume: 1826.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No