Crystallography Open Database

Information card for entry 7151495

Preview

Coordinates	7151495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24.5 N2 O7.5
Calculated formula	C19 H24.5 N2 O7.5
Title of publication	Solution and solid state 13C NMR and X-ray studies of genistein complexes with amines. Potential biological function of the C-7, C-5, and C-4'-OH groups
Authors of publication	Lech Kozerski; Bogdan Kamieński; Robert Kawęcki; Zofia Urbanczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Katarzyna Zakrzewska; Kim T. Nielsen; Poul Erik Hansen
Journal of publication	Org. Biomol. Chem.
Year of publication	2003
Journal volume	1
Journal issue	20
Pages of publication	3578 - 3585
a	6.822 ± 0.001 Å
b	23.501 ± 0.005 Å
c	23.73 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3804.5 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
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	0.0718
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.257
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7151495.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7151495.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151495.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7151495.cif