Information card for entry 7155356

Structure parameters

• Formula: C23 H28 F8 O6 S2
• Calculated formula: C23 H28 F8 O6 S2
• SMILES: S(=O)(=O)(O[C@H]1[C@H](F)[C@@H]([C@@H](OS(=O)(=O)C(F)(F)F)[C@H](F)C1)c1ccc(cc1)C1CCC(CC1)CCC)C(F)(F)F.S(=O)(=O)(O[C@@H]1[C@@H](F)[C@H]([C@H](OS(=O)(=O)C(F)(F)F)[C@@H](F)C1)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: 44.56 ± 0.017 Å
• b: 5.5896 ± 0.0015 Å
• c: 26.277 ± 0.01 Å
• α: 90°
• β: 124.357 ± 0.007°
• γ: 90°
• Cell volume: 5403 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1467
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No