Information card for entry 1562352

Structure parameters

• Formula: C18 H16 F6 O2
• Calculated formula: C18 H16 F6 O2
• SMILES: [C@@H](C(F)(F)F)(c1ccc(cc1)OC)[C@@H](C(F)(F)F)c1ccc(cc1)OC
• Title of publication: Synthesis and Characterization of Diastereoisomeric Polyesters Derived from Bisphenols Bearing Vicinal Trifluoromethyl Groups
• Authors of publication: Lv, Jinghuang; Chen, Si; Xu, Zhenchuang; Zhang, Siquan; Li, Ya; Zhao, Yanchuan
• Journal of publication: Macromolecules
• Year of publication: 2021
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3716 - 3724
• a: 12.736 ± 0.0007 Å
• b: 5.824 ± 0.0003 Å
• c: 22.5026 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.12 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.01 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No