Crystallography Open Database

Information card for entry 7132859

Preview

Coordinates	7132859.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
291523 (current)	2024-05-05	cif/ Updating files of 7132858, 7132859, 7132860, 7132861, 7132862, 7132863 Original log message: Adding full bibliography for 7132858--7132863.cif.	7132859.cif
290578	2024-03-22	cif/ Adding structures of 7132858, 7132859, 7132860, 7132861, 7132862, 7132863 via cif-deposit CGI script.	7132859.cif