Crystallography Open Database

Information card for entry 1515693

Preview

Coordinates	1515693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 N2 O12 Zn
Calculated formula	C28 H36 N2 O12 Zn
SMILES	[Zn]12([O]=C(C3CN(Cc4ccccc4)C(=O)C=3O2)OCC)([O]=C(C2CN(Cc3ccccc3)C(=O)C=2O1)OCC)([OH2])[OH2].O.O
Title of publication	Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates.
Authors of publication	Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota
Journal of publication	Metallomics : integrated biometal science
Year of publication	2011
Journal volume	3
Journal issue	7
Pages of publication	675 - 679
a	11.8469 ± 0.0007 Å
b	8.7118 ± 0.0005 Å
c	28.9529 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2988.2 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
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.	1515693.cif
111977	2014-04-28	cif/ Adding structures of 1515693 via cif-deposit CGI script.	1515693.cif