Information card for entry 7059384

Structure parameters

• Formula: C5 H8 N8 O3
• Calculated formula: C5 H8 N8 O3
• Title of publication: Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking
• Authors of publication: Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 5895 - 5902
• a: 12.4819 ± 0.0013 Å
• b: 5.2281 ± 0.0005 Å
• c: 14.6301 ± 0.0019 Å
• α: 90°
• β: 94.637 ± 0.004°
• γ: 90°
• Cell volume: 951.59 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1259
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No