Information card for entry 7239528

Structure parameters

• Chemical name: 4,5-dinitro-N-(2,2,2-trinitroethyl)-1H-imidazol-1-amine
• Formula: C5 H4 N8 O10
• Calculated formula: C5 H4 N8 O10
• Title of publication: N-Trinitroethylamino functionalization of nitroimidazoles: a new strategy for high performance energetic materials
• Authors of publication: Yin, Ping; Zhang, Qinghua; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 25
• Pages of publication: 7500
• a: 8.3893 ± 0.0005 Å
• b: 10.0156 ± 0.0006 Å
• c: 14.3147 ± 0.0008 Å
• α: 90°
• β: 103.532 ± 0.002°
• γ: 90°
• Cell volume: 1169.39 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0337
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No