Crystallography Open Database

Information card for entry 1549291

Preview

Coordinates	1549291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28
Calculated formula	C30 H28
SMILES	C(=C(c1ccccc1)c1ccccc1)(c1c(cccc1C)C)c1c(cccc1C)C
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	14.1772 ± 0.0003 Å
b	10.8633 ± 0.0002 Å
c	14.2137 ± 0.0003 Å
α	90°
β	95.1137 ± 0.0016°
γ	90°
Cell volume	2180.36 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1549291.cif
207448	2018-04-24	cif/ Adding structures of 1549288, 1549289, 1549290, 1549291, 1549292, 1549293, 1549294, 1549295 via cif-deposit CGI script.	1549291.cif