Crystallography Open Database

Information card for entry 1542263

Preview

Coordinates	1542263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H17 Cl N O S0.5
Calculated formula	C24.5 H17 Cl N O S0.5
Title of publication	Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle
Authors of publication	Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	3
Pages of publication	2201
a	15.9195 ± 0.0004 Å
b	13.7674 ± 0.0003 Å
c	17.3771 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3808.54 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
177731 (current)	2016-03-05	cif/ Updating files of 1542263, 1542264, 1542265 Original log message: Adding full bibliography for 1542263--1542265.cif.	1542263.cif
174359	2016-01-12	cif/ Adding structures of 1542263, 1542264, 1542265 via cif-deposit CGI script.	1542263.cif