Crystallography Open Database

Information card for entry 7234128

Preview

Coordinates	7234128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 B F2 N2 S
Calculated formula	C21 H15 B F2 N2 S
SMILES	s1c2ccccc2[n]2[B](F)(F)N(C(=Cc12)c1ccccc1)c1ccccc1
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	9.1766 ± 0.0009 Å
b	9.249 ± 0.001 Å
c	11.8304 ± 0.0013 Å
α	109.989 ± 0.01°
β	96.898 ± 0.009°
γ	99.154 ± 0.009°
Cell volume	914.97 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
218812 (current)	2019-09-25	cif/ Adding structures of 7234128 via cif-deposit CGI script.	7234128.cif