Crystallography Open Database

Information card for entry 7238001

Preview

Coordinates	7238001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 O2
Calculated formula	C28 H22 O2
Title of publication	The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence ‒ a tetraphenylethylene derivative case
Authors of publication	Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	40
Pages of publication	12709
a	9.7794 ± 0.0002 Å
b	9.5115 ± 0.0002 Å
c	23.9482 ± 0.0005 Å
α	90°
β	101.228 ± 0.002°
γ	90°
Cell volume	2184.95 ± 0.08 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0566
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
238826 (current)	2019-11-24	cif/ Adding structures of 7238001, 7238002, 7238003 via cif-deposit CGI script.	7238001.cif