Information card for entry 7236382

Structure parameters

• Formula: C5 H6 N6 O8
• Calculated formula: C5 H6 N6 O8
• Title of publication: 1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials
• Authors of publication: Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 45
• Pages of publication: 17791
• a: 8.415 ± 0.0017 Å
• b: 10.916 ± 0.002 Å
• c: 12.774 ± 0.003 Å
• α: 72.3 ± 0.03°
• β: 83.98 ± 0.03°
• γ: 83.6 ± 0.03°
• Cell volume: 1107.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1339
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No