Information card for entry 7226945

Structure parameters

• Formula: C9 H6 F3 N9 O15
• Calculated formula: C9 H6 F3 N9 O15
• Title of publication: High-Density Insensitive Energetic Materials: 2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine
• Authors of publication: Gidaspov, Alexander A.; Bakharev, Vladimir V.; Suponitsky, Kyrill; Nikitin, Valery G.; Sheremetev, Aleksei B.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.3284 ± 0.0006 Å
• b: 22.5119 ± 0.0017 Å
• c: 11.7209 ± 0.0009 Å
• α: 90°
• β: 107.342 ± 0.001°
• γ: 90°
• Cell volume: 1845.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0836
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No