Crystallography Open Database

Information card for entry 7121867

Preview

Coordinates	7121867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Cl F2 N O10
Calculated formula	C18 H29 Cl F2 N O10
Title of publication	Unusual high-temperature reversible phase transition containing dielectric and nonlinear optical switches in host-guest supramolecular crown ether clathrates.
Authors of publication	Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	58
Pages of publication	8076 - 8079
a	14.5486 ± 0.0009 Å
b	11.2914 ± 0.0007 Å
c	14.5674 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2393 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228114 (current)	2019-11-17	cif/ Updating files of 7121866, 7121867 Original log message: Adding full bibliography for 7121866--7121867.cif.	7121867.cif
208595	2018-06-22	cif/ Adding structures of 7121866, 7121867 via cif-deposit CGI script.	7121867.cif