Information card for entry 7248105

Structure parameters

• Formula: C5 H5 N9 O7
• Calculated formula: C5 H5 N9 O7
• Title of publication: Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials
• Authors of publication: Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 1738 - 1746
• a: 9.7501 ± 0.0006 Å
• b: 8.8976 ± 0.0005 Å
• c: 24.5696 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2131.5 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No