Information card for entry 7226625

Structure parameters

• Formula: C6 F2 N10 O10
• Calculated formula: C6 F2 N10 O10
• SMILES: N(=O)(=O)C(c1c(non1)/N=N/c1c(C(F)(N(=O)=O)N(=O)=O)non1)(F)N(=O)=O
• Title of publication: Energetic dinitromethyl group functionalized azofurazan and its azofurazanates
• Authors of publication: Tang, Yongxing; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 94
• Pages of publication: 91477
• a: 7.2868 ± 0.0005 Å
• b: 7.7602 ± 0.0005 Å
• c: 12.5498 ± 0.0008 Å
• α: 90°
• β: 90.952 ± 0.001°
• γ: 90°
• Cell volume: 709.56 ± 0.08 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: 0.0316
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0783
• 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