Crystallography Open Database

Information card for entry 4322124

Preview

Coordinates	4322124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 N O11 V
Calculated formula	C25 H32 N O11 V
SMILES	[V]123([OH][C@@H]4[C@H](O[C@@H]([C@@H](OC)[C@@H]4O1)COC)OC)(=O)OC(=O)[C@@H]([N]3=Cc1ccccc1O2)Cc1ccccc1.O
Title of publication	Carbohydrate Binding to VO3+. Sugar Vanadate Esters Incorporating l-Amino Acid Schiff Bases as Coligands
Authors of publication	Kajal Krishna Rajak; Sankar Prasad Rath; Sujit Mondal; Animesh Chakravorty
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3283 - 3289
a	13.645 ± 0.004 Å
b	7.022 ± 0.002 Å
c	15.5 ± 0.004 Å
α	90°
β	113.98 ± 0.02°
γ	90°
Cell volume	1356.9 ± 0.7 Å³
Cell temperature	295 ± 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	0.0962
Residual factor for significantly intense reflections	0.063
Weighted residual factors for all reflections	0.1891
Weighted residual factors for significantly intense reflections	0.1375
Goodness-of-fit parameter for all reflections	1.03
Goodness-of-fit parameter for significantly intense reflections	1.079
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
179324 (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 4/32/21.	4322124.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.	4322124.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322124.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322124.cif
20373	2011-06-05	../uploads/cif-deposit/cod/cif Adding structures of 4322124 via cif-deposit CGI script.	4322124.cif