Information card for entry 7155350

Structure parameters

• Formula: C21 H28 F4
• Calculated formula: C21 H28 F4
• SMILES: F[C@@H]1[C@H](F)C[C@H](F)[C@H](F)C1c1ccc(cc1)C1CCC(CC1)CCC
• Title of publication: Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.
• Authors of publication: Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 9974 - 9980
• a: 11.943 ± 0.002 Å
• b: 5.5757 ± 0.0011 Å
• c: 27.176 ± 0.006 Å
• α: 90°
• β: 91.791 ± 0.007°
• γ: 90°
• Cell volume: 1808.8 ± 0.6 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No