Crystallography Open Database

Information card for entry 1562352

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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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1562352.cif
264812	2021-05-04	cif/ Adding structures of 1562352 via cif-deposit CGI script.	1562352.cif