Information card for entry 7132860

Structure parameters

• Formula: C32 H45 F9 O2
• Calculated formula: C32 H45 F9 O2
• 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: 12.299 ± 0.0006 Å
• b: 9.2607 ± 0.0005 Å
• c: 14.5611 ± 0.0009 Å
• α: 90°
• β: 94.027 ± 0.005°
• γ: 90°
• Cell volume: 1654.38 ± 0.16 ų
• Cell temperature: 299.1 ± 0.6 K
• Ambient diffraction temperature: 299.1 ± 0.6 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: 0.0991
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.226
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No