Information card for entry 7236383

Structure parameters

• Formula: C8 H8 N6 O12
• Calculated formula: C8 H8 N6 O12
• 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: 8.699 ± 0.0017 Å
• b: 8.789 ± 0.0018 Å
• c: 10.723 ± 0.002 Å
• α: 86.59 ± 0.03°
• β: 89.54 ± 0.03°
• γ: 72.16 ± 0.03°
• Cell volume: 779 ± 0.3 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: 0.1022
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No