Crystallography Open Database

Information card for entry 4320823

4320822 << 4320823 >> 4320824

Preview

Coordinates	4320823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 N2 O9 V
Calculated formula	C28 H27 N2 O9 V
SMILES	[V]12(O[C@@H]3[C@H](O[C@H]4[C@@H](O[C@@H](OC4)c4ccccc4)[C@@H]3O)OC)(=O)Oc3ccccc3C=[N]2N=C(O1)c1ccccc1
Title of publication	Sugar Binding to VO3+. Synthesis and Structure of a New Mannopyranoside Vanadate
Authors of publication	Kajal Krishna Rajak; Bharat Baruah; Sankar Prasad Rath; Animesh Chakravorty
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1598 - 1601
a	11.357 ± 0.007 Å
b	9.613 ± 0.005 Å
c	12.326 ± 0.007 Å
α	90°
β	97.66 ± 0.05°
γ	90°
Cell volume	1333.7 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for all reflections	0.1243
Weighted residual factors for significantly intense reflections	0.1012
Goodness-of-fit parameter for all reflections	1.036
Goodness-of-fit parameter for significantly intense reflections	1.069
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
179311 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/08.	4320823.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4320823.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320823.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320823.cif
18136	2011-04-27	../uploads/cif-deposit/cod/cif Adding structures of 4320823 via cif-deposit CGI script.	4320823.cif