Crystallography Open Database

Information card for entry 7233603

Preview

Coordinates	7233603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 S4
Calculated formula	C34 H20 S4
Title of publication	Rubrene analogues with the aggregation-induced emission enhancement behaviour
Authors of publication	Xiaotao Zhang; Jakob K. Sorensen; Xiaolong Fu; Yonggang Zhen; Guangyao Zhao; Lang Jiang; Huanli Dong; Jie Liu; Zhigang Shuai; Hua Geng; Thomas Bjornholm; Wenping Hu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	884 - 890
a	11.401 ± 0.002 Å
b	8.9944 ± 0.0018 Å
c	13.989 ± 0.003 Å
α	90°
β	113.59 ± 0.03°
γ	90°
Cell volume	1314.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0449
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7233603.html