Information card for entry 7135929

Structure parameters

• Formula: C186 H194 N112 O151
• Calculated formula: C186 H193.999 N112 O151
• Title of publication: Construction of Ultra-Heat-Resistant Explosives via a Strategy of Building Hydrogen-Bond Networks in Heterocyclic Bridges
• Authors of publication: Li, Chengchuang; Zhu, Teng; Zhang, Linan; Tang, Jie; Cheng, Yangfan; Wang, Quan; Cheng, Guangbin; Xiao, Chuan; Yang, Hongwei
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 53.01 ± 0.015 Å
• b: 7.1911 ± 0.0017 Å
• c: 37.089 ± 0.009 Å
• α: 90°
• β: 92.411 ± 0.008°
• γ: 90°
• Cell volume: 14126 ± 6 ų
• Cell temperature: 224 K
• Ambient diffraction temperature: 224 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1886
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No