Crystallography Open Database

Information card for entry 7234133

Preview

Coordinates	7234133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 B F2 N4 S
Calculated formula	C25 H25 B F2 N4 S
SMILES	s1c2ccccc2[n]2[B](F)(F)N(C(=Cc12)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
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	20.6963 ± 0.0013 Å
b	8.5511 ± 0.0006 Å
c	27.318 ± 0.002 Å
α	90°
β	106.475 ± 0.007°
γ	90°
Cell volume	4636.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
218817 (current)	2019-09-25	cif/ Adding structures of 7234133 via cif-deposit CGI script.	7234133.cif