Information card for entry 7106689

Structure parameters

• Formula: C6 H8 F4
• Calculated formula: C6 H8 F4
• Title of publication: Synthesis and structure of all-syn-1,2,3,4-tetrafluorocyclohexane
• Authors of publication: Alastair Durie; Alexandra Slawin; Tomas Lebl; Peer Kirsch; David O'Hagan
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8265
• a: 8.229 ± 0.006 Å
• b: 7.736 ± 0.005 Å
• c: 9.953 ± 0.008 Å
• α: 90°
• β: 97.507 ± 0.018°
• γ: 90°
• Cell volume: 628.2 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No