Information card for entry 7135928

Structure parameters

• Formula: C36 H17 N23 O34
• Calculated formula: C36 H17 N23 O34
• 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: 24.4413 ± 0.0017 Å
• b: 15.6786 ± 0.0009 Å
• c: 12.9303 ± 0.0009 Å
• α: 90°
• β: 104.027 ± 0.005°
• γ: 90°
• Cell volume: 4807.2 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.1143
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No