Crystallography Open Database

Information card for entry 7025948

Preview

Coordinates	7025948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O4
Calculated formula	C19 H17 N O4
SMILES	O=c1oc2c(c(c1)C)ccc(c2)/N=C/c1c(O)c(OCC)ccc1
Title of publication	Biological activity and coordination modes of copper(II) complexes of Schiff base-derived coumarin ligands.
Authors of publication	Creaven, Bernadette Sarah; Czeglédi, Eszter; Devereux, Michael; Enyedy, Éva Anna; Foltyn-Arfa Kia, Agnieszka; Karcz, Dariusz; Kellett, Andrew; McClean, Siobhán; Nagy, Nóra Veronika; Noble, Andy; Rockenbauer, Antal; Szabó-Plánka, Terézia; Walsh, Maureen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	45
Pages of publication	10854 - 10865
a	11.8125 ± 0.0013 Å
b	11.1729 ± 0.0013 Å
c	11.863 ± 0.0013 Å
α	90°
β	103.765 ± 0.006°
γ	90°
Cell volume	1520.7 ± 0.3 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179965 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/59.	7025948.cif
93361	2014-01-13	cif/ Adding structures of 7025948 via cif-deposit CGI script.	7025948.cif