Information card for entry 7250587

Structure parameters

• Formula: C5 H8 N8 O7
• Calculated formula: C5 H8 N8 O7
• Title of publication: Constructing high-performance and insensitive energetic salts through increased hydrogen bonds
• Authors of publication: Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 29
• Pages of publication: 4976 - 4984
• a: 7.3547 ± 0.0002 Å
• b: 17.502 ± 0.0004 Å
• c: 8.7636 ± 0.0002 Å
• α: 90°
• β: 109.734 ± 0.001°
• γ: 90°
• Cell volume: 1061.82 ± 0.05 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No