Information card for entry 7132057

Structure parameters

• Formula: C4 H6 N8 O5
• Calculated formula: C4 H6 N8 O5
• Title of publication: Synthesis of fused energetic compounds using the structural modification from local carbonyl to hydroxylamine/hydrazone
• Authors of publication: Lei, Caijin; Xiao, Chuan; Tang, Jie; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 6.715 ± 0.002 Å
• b: 11.775 ± 0.004 Å
• c: 10.892 ± 0.004 Å
• α: 90°
• β: 93.483 ± 0.012°
• γ: 90°
• Cell volume: 859.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0644
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No