Information card for entry 7134630

Structure parameters

• Formula: C8 H10 N10 O7
• Calculated formula: C8 H10 N10 O7
• Title of publication: Facile synthesis of bicyclic heat-resistant energetic materials via a C–N coupling strategy
• Authors of publication: Jiang, Xiu’e; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 54
• Pages of publication: 9924 - 9927
• a: 5.1692 ± 0.0001 Å
• b: 19.0438 ± 0.0004 Å
• c: 13.7975 ± 0.0003 Å
• α: 90°
• β: 96.071 ± 0.002°
• γ: 90°
• Cell volume: 1350.63 ± 0.05 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0521
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No