Information card for entry 7218882

Structure parameters

• Formula: C16 H26 N14 O15
• Calculated formula: C16 H26 N14 O15
• Title of publication: Cocrystal explosive hydrate of a powerful explosive, HNIW, with enhancing safety
• Authors of publication: yang, zongwei; zeng, qun; zhou, Xiaoqing; Zhang, Qi; Nie, Fude; huang, hui; li, hongzhen
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 11.904 ± 0.004 Å
• b: 15.824 ± 0.005 Å
• c: 14.504 ± 0.005 Å
• α: 90°
• β: 96.671 ± 0.007°
• γ: 90°
• Cell volume: 2713.6 ± 1.6 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: 0.0612
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No