Crystallography Open Database

Information card for entry 1506946

Preview

Coordinates	1506946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N O6 V
Calculated formula	C22 H22 N O6 V
SMILES	[V]12(Oc3ccc4ccccc4c3C=[N]2[C@H](C(=O)O1)Cc1ccccc1)(=O)([OH]C)OC
Title of publication	Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.
Authors of publication	Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	24
Pages of publication	4471 - 4474
a	11.097 ± 0.0004 Å
b	7.218 ± 0.0003 Å
c	13.391 ± 0.0007 Å
α	90°
β	105.166 ± 0.002°
γ	90°
Cell volume	1035.24 ± 0.08 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	0.0627
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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.	1506946.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506946.cif
51565	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506943, 1506944, 1506945, 1506946 via cif-deposit CGI script.	1506946.cif