Crystallography Open Database

Information card for entry 4084662

Preview

Coordinates	4084662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 O5 Ru
Calculated formula	C27 H34 O5 Ru
SMILES	[Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[C]1(=[CH]3[C@H]2[CH]4=[CH]5[C@@]1(C[C@]2(OC)C)C)c1ccccc1
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	12.6975 ± 0.0006 Å
b	13.9407 ± 0.0008 Å
c	14.5234 ± 0.0006 Å
α	90°
β	90.371 ± 0.003°
γ	90°
Cell volume	2570.8 ± 0.2 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	0.0384
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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