Crystallography Open Database

Information card for entry 1549288

Preview

Coordinates	1549288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20
Calculated formula	C28 H20
SMILES	c12c(c3ccccc3c3cccc(c13)CCc1c2cccc1)c1ccccc1
Title of publication	Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.
Authors of publication	Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	20
Pages of publication	4662 - 4670
a	8.3475 ± 0.00016 Å
b	10.314 ± 0.0002 Å
c	21.0732 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1814.32 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	2
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
228763 (current)	2019-11-17	cif/ Updating files of 1549288, 1549289, 1549290, 1549291, 1549292, 1549293, 1549294, 1549295 Original log message: Adding full bibliography for 1549288--1549295.cif.	1549288.cif
207448	2018-04-24	cif/ Adding structures of 1549288, 1549289, 1549290, 1549291, 1549292, 1549293, 1549294, 1549295 via cif-deposit CGI script.	1549288.cif