Crystallography Open Database

Information card for entry 7234130

Preview

Coordinates	7234130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 B F2 N3 S
Calculated formula	C23 H20 B F2 N3 S
SMILES	s1c2ccccc2[n]2[B](F)(F)N(C(=Cc12)c1ccccc1)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	15.8955 ± 0.0003 Å
b	9.83109 ± 0.00015 Å
c	26.4038 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4126.12 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
218814 (current)	2019-09-25	cif/ Adding structures of 7234130 via cif-deposit CGI script.	7234130.cif