Crystallography Open Database

Information card for entry 4070463

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Coordinates	4070463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 Cl P2 Ru
Calculated formula	C32 H31 Cl P2 Ru
Title of publication	Ruthenium-Diphosphine-Catalyzed Allylation of Phenols: Agem-Dialkyl-Type Effect Induces High Selectivity toward O-Allylation
Authors of publication	van Rijn, Jimmy A.; Siegler, Maxime A.; Spek, Anthony L.; Bouwman, Elisabeth; Drent, Eite
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	24
Pages of publication	7006
a	19.5137 ± 0.0001 Å
b	11.2169 ± 0.0003 Å
c	30.198 ± 0.0015 Å
α	90°
β	119.551 ± 0.003°
γ	90°
Cell volume	5750 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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