Crystallography Open Database

Information card for entry 7234131

Preview

Coordinates	7234131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 B F2 N3 O0 S
Calculated formula	C23 H20 B F2 N3 S
SMILES	[B]1(F)(F)[n]2c3ccccc3sc2C=C(N1c1ccccc1)c1ccc(N(C)C)cc1
Title of publication	Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission
Authors of publication	Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	2953 - 2959
a	12.1191 ± 0.0013 Å
b	14.1236 ± 0.0014 Å
c	11.9134 ± 0.0011 Å
α	90°
β	100.907 ± 0.002°
γ	90°
Cell volume	2002.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.1039
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
218815 (current)	2019-09-25	cif/ Adding structures of 7234131 via cif-deposit CGI script.	7234131.cif