Crystallography Open Database

Information card for entry 4135542

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Coordinates	4135542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H68 N2 O3 Ru
Calculated formula	C53 H68 N2 O3 Ru
Title of publication	Efficient Z-Selective Olefin-Acrylamide Cross-Metathesis Enabled by Sterically Demanding Cyclometalated Ruthenium Catalysts
Authors of publication	Xu, Yan; Wong, Jonathan J.; Samkian, Adrian E.; Ko, Jeong Hoon; Chen, Shuming; Houk, K. N.; Grubbs, Robert H.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Pages of publication	20987 - 20993
a	11.506 ± 0.008 Å
b	12.614 ± 0.006 Å
c	17.118 ± 0.016 Å
α	75.681 ± 0.017°
β	71.28 ± 0.03°
γ	88.66 ± 0.015°
Cell volume	2276 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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