Information card for entry 7228897

Structure parameters

• Formula: C8 H4 F2 N8 O11
• Calculated formula: C8 H4 F2 N8 O11
• SMILES: FC(N(=O)=O)(N(=O)=O)COc1nc2nonc2nc1OCC(F)(N(=O)=O)N(=O)=O
• Title of publication: 5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties
• Authors of publication: Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 62
• Pages of publication: 38844
• a: 10.9222 ± 0.0018 Å
• b: 13.057 ± 0.002 Å
• c: 10.5202 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500.3 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No