Crystallography Open Database

Information card for entry 1549294

Preview

Coordinates	1549294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24
Calculated formula	C29 H24
SMILES	c1(c(c2ccccc2c2cccc(c12)C)c1ccccc1)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	7.396 ± 0.0002 Å
b	30.1314 ± 0.0011 Å
c	18.311 ± 0.0007 Å
α	90°
β	91.801 ± 0.003°
γ	90°
Cell volume	4078.6 ± 0.2 Å³
Cell temperature	99.93 ± 0.16 K
Ambient diffraction temperature	99.93 ± 0.16 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	1549294.cif
207448	2018-04-24	cif/ Adding structures of 1549288, 1549289, 1549290, 1549291, 1549292, 1549293, 1549294, 1549295 via cif-deposit CGI script.	1549294.cif