Crystallography Open Database

Information card for entry 7236923

Preview

Coordinates	7236923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 B20
Calculated formula	C42 H48 B20
Title of publication	Stimuli-responsive solid-state emission from o-carborane‒tetraphenylethene dyads induced by twisted intramolecular charge transfer in the crystalline state
Authors of publication	Li, Junfeng; Yang, Chenglong; Peng, Xuelei; Chen, Ying; Qi, Qi; Luo, Xiaoyan; Lai, Wen-Yong; Huang, Wei
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	1
Pages of publication	19
a	21.566 ± 0.004 Å
b	10.668 ± 0.002 Å
c	19.897 ± 0.004 Å
α	90°
β	100.659 ± 0.005°
γ	90°
Cell volume	4498.6 ± 1.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
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	0.1584
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2049
Weighted residual factors for all reflections included in the refinement	0.2379
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
236637 (current)	2019-11-24	cif/ Adding structures of 7236922, 7236923 via cif-deposit CGI script.	7236923.cif