Information card for entry 7207323

Structure parameters

• Common name: Bis(2,2-dinitroethyl)nitramine
• Formula: C4 H6 N6 O10
• Calculated formula: C4 H6 N6 O10
• SMILES: O=N(=O)N(CC(N(=O)=O)N(=O)=O)CC(N(=O)=O)N(=O)=O
• Title of publication: Super-high-energy materials based on bis(2,2-dinitroethyl)nitramine
• Authors of publication: Song, Jinhong; Zhou, Zhiming; Dong, Xiao; Huang, Haifeng; Cao, Dan; Liang, Lixuan; Wang, Kai; Zhang, Jun; Chen, Fu-xue; Wu, Yukai
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 3201
• a: 12.363 ± 0.013 Å
• b: 5.876 ± 0.005 Å
• c: 15.136 ± 0.016 Å
• α: 90°
• β: 90.31 ± 0.08°
• γ: 90°
• Cell volume: 1099.5 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No