Information card for entry 7134631

Structure parameters

• Formula: C5 H10 Cl2 N10 O8
• Calculated formula: C5 H10 Cl2 N10 O8
• 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: 8.2784 ± 0.0007 Å
• b: 9.1672 ± 0.0007 Å
• c: 9.3028 ± 0.0007 Å
• α: 92.785 ± 0.003°
• β: 90.887 ± 0.003°
• γ: 103.678 ± 0.003°
• Cell volume: 684.89 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No