Information card for entry 7132859

Structure parameters

• Formula: C31 H45 F7 O2
• Calculated formula: C31 H45 F7 O2
• SMILES: FC(F)(C(F)(F)F)C(F)(F)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@H]23)[C@@H](CCCC(C)C)C)C1
• Title of publication: Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.
• Authors of publication: Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 32
• Pages of publication: 4322 - 4325
• a: 12.9607 ± 0.0004 Å
• b: 8.8159 ± 0.0002 Å
• c: 13.5926 ± 0.0004 Å
• α: 90°
• β: 106.421 ± 0.003°
• γ: 90°
• Cell volume: 1489.74 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No