Crystallography Open Database

Information card for entry 4306674

Preview

Coordinates	4306674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H57 F10 N2 O2 W
Calculated formula	C52 H57 F10 N2 O2 W
SMILES	[W]1(=Nc2c(cccc2C(C)C)C(C)C)([N](=C2C(=C3C=1CCCCCC3)CCCCCC2)c1c(cccc1C(C)C)C(C)C)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F
Title of publication	Carbonyl Olefination Using Readily Prepared Tungsten Metallacycles
Authors of publication	Kapil S. Lokare; Aaron L. Odom
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11191 - 11196
a	11.527 ± 0.003 Å
b	13.555 ± 0.003 Å
c	16.502 ± 0.004 Å
α	93.98 ± 0.004°
β	90.787 ± 0.004°
γ	110.872 ± 0.004°
Cell volume	2401.4 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4306674.html