Crystallography Open Database

Information card for entry 1565833

Preview

Coordinates	1565833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 O4
Calculated formula	C10 H14 O4
SMILES	O=C1O[C@]2(CC[C@]1(C)C2(C)C)C(=O)O
Title of publication	An organic plastic ferroelectric with high Curie point
Authors of publication	Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	3
Pages of publication	748 - 753
a	6.29835 ± 0.00009 Å
b	10.64131 ± 0.00014 Å
c	7.53892 ± 0.00011 Å
α	90°
β	103.504 ± 0.0014°
γ	90°
Cell volume	491.31 ± 0.012 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
272593 (current)	2022-02-04	cif/ Updating files of 1565833, 1565834 Original log message: Adding full bibliography for 1565833--1565834.cif.	1565833.cif
271625	2021-12-25	cif/ Adding structures of 1565833, 1565834 via cif-deposit CGI script.	1565833.cif