Crystallography Open Database

Information card for entry 1515455

Preview

Coordinates	1515455.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cudapp2
Formula	C30 H32 Cl6 Cu N4 O4
Calculated formula	C30 H32 Cl6 Cu N4 O4
Title of publication	N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy
Authors of publication	Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	4
Pages of publication	642
a	12.997 ± 0.0012 Å
b	15.328 ± 0.0017 Å
c	9.0063 ± 0.0008 Å
α	90°
β	110.181 ± 0.004°
γ	90°
Cell volume	1684.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0682
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515455.cif
111817	2014-04-28	cif/ Adding structures of 1515452, 1515453, 1515454, 1515455, 1515456, 1515457, 1515458, 1515459 via cif-deposit CGI script.	1515455.cif