Crystallography Open Database

Information card for entry 4103697

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Coordinates	4103697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N4 O6 V
Calculated formula	C18 H12 N3 O6 V
Title of publication	Mechanism of Alcohol Oxidation by Dipicolinate Vanadium(V): Unexpected Role of Pyridine
Authors of publication	Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; L. A. "Pete" Silks; David L. Thorn
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17804 - 17816
a	17.231 ± 0.01 Å
b	14.738 ± 0.008 Å
c	17.25 ± 0.01 Å
α	90°
β	96.968 ± 0.007°
γ	90°
Cell volume	4348 ± 4 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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