Information card for entry 7132858

Structure parameters

• Formula: C30 H45 F5 O2
• Calculated formula: C30 H45 F5 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: 12.4586 ± 0.0002 Å
• b: 9.2797 ± 0.0002 Å
• c: 13.4386 ± 0.0003 Å
• α: 90°
• β: 105.661 ± 0.002°
• γ: 90°
• Cell volume: 1495.99 ± 0.05 ų
• Cell temperature: 476 ± 200 K
• Ambient diffraction temperature: 300 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: 0.0628
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No