Crystallography Open Database

Information card for entry 4084661

Preview

Coordinates	4084661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 O4 Ru
Calculated formula	C18 H24 O4 Ru
SMILES	[Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[CH]3C2[CH]4=[CH]5C1CC2
Title of publication	Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes
Authors of publication	Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6604
a	9.751 ± 0.004 Å
b	22.949 ± 0.009 Å
c	15.624 ± 0.006 Å
α	90°
β	90.983 ± 0.006°
γ	90°
Cell volume	3496 ± 2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.2366
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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