Information card for entry 7059385

Structure parameters

• Formula: C5 H15 N9 O5
• Calculated formula: C5 H15 N9 O5
• SMILES: O.O.O.o1n(=O)c(c(n1)/C=N/Nc1nn[n-]n1)C.[NH4+]
• 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: 7.765 ± 0.003 Å
• b: 7.205 ± 0.003 Å
• c: 23.573 ± 0.01 Å
• α: 90°
• β: 94.77 ± 0.015°
• γ: 90°
• Cell volume: 1314.3 ± 0.9 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: 0.0718
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No