Information card for entry 7155355

Structure parameters

• Formula: C23 H28 F8 O6 S2
• Calculated formula: C23 H28 F8 O6 S2
• SMILES: S(=O)(=O)(O[C@H]1C([C@@H](OS(=O)(=O)C(F)(F)F)[C@H](F)C[C@@H]1F)c1ccc(cc1)C1CCC(CC1)CCC)C(F)(F)F
• 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: 10.07 ± 0.003 Å
• b: 15.616 ± 0.004 Å
• c: 17.611 ± 0.004 Å
• α: 94.94 ± 0.007°
• β: 91.272 ± 0.006°
• γ: 95.758 ± 0.007°
• Cell volume: 2743.8 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.2772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No