Information card for entry 2005084

Structure parameters

• Chemical name: cis-4,5-bis(fluorodinitromethyl)-cis-2-methoxy-1,3-dioxolane
• Formula: C6 H6 F2 N4 O11
• Calculated formula: C6 H6 F2 N4 O11
• SMILES: [C@@H]1(C(N(=O)=O)(N(=O)=O)F)[C@H](C(N(=O)=O)(N(=O)=O)F)OC(O1)OC
• Title of publication: 4,5-Bis(fluorodinitromethyl)-2-methoxy-1,3-dioxolane
• Authors of publication: Corbett, J. M.; Dickman, M. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1851 - 1853
• a: 17.816 ± 0.002 Å
• b: 9.05 ± 0.001 Å
• c: 15.468 ± 0.003 Å
• α: 90°
• β: 98.7 ± 0.01°
• γ: 90°
• Cell volume: 2465.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.0946
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No