Crystallography Open Database

Information card for entry 7234299

Preview

Coordinates	7234299.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SBOH
Chemical name	(E)-dimethyl 5-((4-(diethylamino)-2-hydroxybenzylidene)amino)isophthalate
Formula	C21 H24 N2 O5
Calculated formula	C21 H24 N2 O5
SMILES	c1(cc(/N=C/c2ccc(N(CC)CC)cc2O)cc(c1)C(=O)OC)C(=O)OC
Title of publication	A diethylaminophenol functionalized Schiff base: crystallization-induced emission-enhancement, switchable fluorescence and application for security printing and data storage
Authors of publication	Tianyu Han; Xiao Feng; Didi Chen; Yuping Dong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7446 - 7454
a	10 ± 0.002 Å
b	28 ± 0.006 Å
c	7 ± 0.0014 Å
α	90°
β	105 ± 0.03°
γ	90°
Cell volume	1893.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0789
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	0.775
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
297561 (current)	2025-02-01	cif/7 Fixing Z values and formulae	7234299.cif
219015	2019-10-02	cif/ Adding structures of 7234299 via cif-deposit CGI script.	7234299.cif