Information card for entry 7131883

Structure parameters

• Formula: C8 H16 Cl2 N12 O14
• Calculated formula: C8 H16 Cl2 N12 O14
• Title of publication: Multi-fused heat-resistant nergetic compound constructed by hydrogen bonds
• Authors of publication: Hu, Yong; Dong, Wen-Shuai; Lu, Zu-Jia; Zhang, Han; Zhang, Jianguo
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 15.344 ± 0.0013 Å
• b: 5.2963 ± 0.0005 Å
• c: 14.1981 ± 0.0012 Å
• α: 90°
• β: 116.175 ± 0.005°
• γ: 90°
• Cell volume: 1035.5 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1155
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No