Information card for entry 7118889

Structure parameters

• Formula: C5 H6 F4
• Calculated formula: C5 H6 F4
• SMILES: F[C@H]1[C@@H](F)[C@@H](F)[C@@H](F)C1
• Title of publication: Polar alicyclic rings: synthesis and structure of all cis-1,2,3,4-tetrafluorocyclopentane.
• Authors of publication: Fang, Zeguo; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 29
• Pages of publication: 5116 - 5119
• a: 10.115 ± 0.0019 Å
• b: 4.5875 ± 0.0011 Å
• c: 11.876 ± 0.003 Å
• α: 90°
• β: 90.026 ± 0.018°
• γ: 90°
• Cell volume: 551.1 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No