Crystallography Open Database

Information card for entry 7106786

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Coordinates	7106786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H80 Cl8 N2 O Ru
Calculated formula	C92 H80 Cl8 N2 O Ru
SMILES	[Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c(cc(cc1C)c1c(c(c(c(c1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C)c1c(cc(cc1C)c1c(c(c(c(c1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C.ClCCl.ClCCl.ClCCl
Title of publication	Ruthenium-catalyzed ring-closing metathesis accelerated by long-range steric effect
Authors of publication	Tetsuaki Fujihara; Yoshikazu Tomike; Toshiyuki Ohtake; Jun Terao; Yasushi Tsuji
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	9699
a	12.7107 ± 0.0002 Å
b	14.1983 ± 0.0001 Å
c	24.5773 ± 0.0013 Å
α	86.648 ± 0.008°
β	89.389 ± 0.008°
γ	63.635 ± 0.006°
Cell volume	3966.7 ± 0.3 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 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 significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.1643
Goodness-of-fit parameter for all reflections included in the refinement	1.321
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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