Crystallography Open Database

Information card for entry 1513743

Preview

Coordinates	1513743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H33 Cu1.5 N6 O6 S3
Calculated formula	C42 H33 Cu1.5 N6 O6 S3
Title of publication	3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.
Authors of publication	Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris
Journal of publication	Metallomics : integrated biometal science
Year of publication	2014
Journal volume	6
Journal issue	2
Pages of publication	249 - 262
a	12.37 ± 0.004 Å
b	12.679 ± 0.004 Å
c	13.471 ± 0.004 Å
α	62.131 ± 0.007°
β	86.789 ± 0.009°
γ	84.702 ± 0.008°
Cell volume	1859.6 ± 1 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1338
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.2456
Weighted residual factors for all reflections included in the refinement	0.3037
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513743.cif
105589	2014-03-12	cif/ Adding structures of 1513737, 1513738, 1513739, 1513740, 1513741, 1513742, 1513743, 1513744 via cif-deposit CGI script.	1513743.cif