Crystallography Open Database

Information card for entry 4335439

Preview

Coordinates	4335439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 N4 O2
Calculated formula	C26 H18 N4 O2
SMILES	c1c2ccccc2cc(C(=O)Nc2ccccc2NC(=O)c2cc3ccccc3cn2)n1
Title of publication	Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors
Authors of publication	Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7889 - 7906
a	5.7773 ± 0.0002 Å
b	13.3867 ± 0.0005 Å
c	26.7245 ± 0.0009 Å
α	90°
β	93.836 ± 0.003°
γ	90°
Cell volume	2062.22 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0629
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335439.cif
101368	2014-02-13	cif/ Adding structures of 4335439 via cif-deposit CGI script.	4335439.cif