Crystallography Open Database

Information card for entry 4509189

Preview

Coordinates	4509189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N2 O4
Calculated formula	C18 H22 N2 O4
SMILES	[n+]1(CC(=O)[O-])ccc(cc1)/C=C/c1ccc(N(CCO)C)cc1.O
Title of publication	Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes
Authors of publication	Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	3
Pages of publication	1499
a	15.646 ± 0.016 Å
b	10.158 ± 0.011 Å
c	10.456 ± 0.011 Å
α	90°
β	104.279 ± 0.018°
γ	90°
Cell volume	1610 ± 3 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	0.1663
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.2332
Goodness-of-fit parameter for all reflections included in the refinement	0.873
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
179627 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/91.	4509189.cif
97162	2014-01-29	cif/ Adding structures of 4509188, 4509189, 4509190, 4509191, 4509192, 4509193, 4509194, 4509195, 4509196, 4509197, 4509198, 4509199, 4509200, 4509201, 4509202, 4509203 via cif-deposit CGI script.	4509189.cif