Information card for entry 7235108

Structure parameters

• Formula: C8 H10 N16 O16
• Calculated formula: C8 H10 N16 O16
• Title of publication: Seeking a novel energetic co-crystal strategy through the interfacial self-assembly of CL-20 and HMX nanocrystals
• Authors of publication: Zhang, Menghua; Tan, Yingxin; Zhao, Xu; Zhang, Jianhu; Huang, Shiliang; Zhai, Zhaohui; Liu, Yu; Yang, Zhijian
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 61 - 67
• a: 16.537 ± 0.004 Å
• b: 10.001 ± 0.004 Å
• c: 12.295 ± 0.003 Å
• α: 90°
• β: 99.96 ± 0.03°
• γ: 90°
• Cell volume: 2002.8 ± 1.1 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: 0.3876
• Residual factor for significantly intense reflections: 0.1668
• Weighted residual factors for significantly intense reflections: 0.391
• Weighted residual factors for all reflections included in the refinement: 0.5023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No