Information card for entry 7236380

Structure parameters

• Formula: C6 H8 N4 O6
• Calculated formula: C6 H8 N4 O6
• 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: 10.125 ± 0.002 Å
• b: 8.345 ± 0.0017 Å
• c: 10.583 ± 0.002 Å
• α: 90°
• β: 106.1 ± 0.03°
• γ: 90°
• Cell volume: 859.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0708
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No