Crystallography Open Database

Information card for entry 7712090

7712089 << 7712090 >> 7712091

Preview

Coordinates	7712090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H57 O4 V
Calculated formula	C39 H57 O4 V
SMILES	[V]1(Oc2c(C34CC5CC(C3)CC(C4)C5)cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)(OC(C)(C)C)=O
Title of publication	Synthesis and molecular structural studies of racemic chiral-at-vanadium(V) complexes using an unsymmetric achiral phenolic bidentate ligand.
Authors of publication	Nagata, Koichi; Hino, Ayako; Ube, Hitoshi; Sato, Hiroyasu; Shionoya, Mitsuhiko
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	11
Pages of publication	3295 - 3299
a	11.3936 ± 0.0003 Å
b	13.2903 ± 0.0003 Å
c	13.406 ± 0.0003 Å
α	75.111 ± 0.002°
β	69.895 ± 0.002°
γ	75.358 ± 0.002°
Cell volume	1811.79 ± 0.08 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283329 (current)	2023-05-05	cif/ Updating files of 7712089, 7712090 Original log message: Adding full bibliography for 7712089--7712090.cif.	7712090.cif
280289	2023-01-12	cif/ Adding structures of 7712089, 7712090 via cif-deposit CGI script.	7712090.cif