Crystallography Open Database

Information card for entry 7233740

Preview

Coordinates	7233740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 F4 N
Calculated formula	C24 H19 F4 N
SMILES	Fc1c(F)cc(F)c(F)c1/C=C/c1ccc(cc1)/C=C/c1ccc(N(C)C)cc1
Title of publication	Fluorine-induced J-aggregation enhances emissive properties of a new NLO push-pull chromophore
Authors of publication	Chiara Botta; Elena Cariati; Gabriella Cavallo; Valentina Dichiarante; Alessandra Forni; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati; Stefania Righetto; Giancarlo Terraneo; Elisa Tordin
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	5275 - 5279
a	7.594 ± 0.005 Å
b	5.874 ± 0.004 Å
c	41.51 ± 0.03 Å
α	90°
β	94.302 ± 0.008°
γ	90°
Cell volume	1846 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
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	0.1646
Residual factor for significantly intense reflections	0.1134
Weighted residual factors for significantly intense reflections	0.2673
Weighted residual factors for all reflections included in the refinement	0.2943
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
218128 (current)	2019-09-10	cif/ Adding structures of 7233740 via cif-deposit CGI script.	7233740.cif