Information card for entry 7160989

Structure parameters

• Formula: C4 H11 N7 O7
• Calculated formula: C4 H11 N7 O7
• Title of publication: One-step amino-to-nitro transformation of carbonyl-containing fused-ring energetic compounds in nitric acid.
• Authors of publication: Miao, Xiangyan; Yu, Jiyuan; Li, Yuchuan; Pang, Siping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 1481 - 1487
• a: 6.5845 ± 0.0006 Å
• b: 8.3838 ± 0.0007 Å
• c: 10.3193 ± 0.0008 Å
• α: 67.746 ± 0.003°
• β: 88.999 ± 0.003°
• γ: 87.729 ± 0.003°
• Cell volume: 526.81 ± 0.08 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No