Information card for entry 7229935

Structure parameters

• Formula: C10 H8 N10 O4
• Calculated formula: C10 H8 N10 O4
• SMILES: n1(ncnc1)c1c(N)c(N(=O)=O)c(N)c(N(=O)=O)c1n1ncnc1
• Title of publication: Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials
• Authors of publication: Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2203
• a: 8.941 ± 0.003 Å
• b: 7.445 ± 0.003 Å
• c: 20.759 ± 0.007 Å
• α: 90°
• β: 106.328 ± 0.015°
• γ: 90°
• Cell volume: 1326.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1012
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No