Crystallography Open Database

Information card for entry 4110424

Preview

Coordinates	4110424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H56 F6 N2 O2 P3 Rh
Calculated formula	C70 H54 F6 N2 O2 P3 Rh
SMILES	[Rh]1([P](c2c(cc3ccccc3c2c2c(OC)ccc3ccccc23)c2c([P]1(c1ccccc1)c1ccccc1)c(c1c3c(ccc1OC)cccc3)c1ccccc1c2)(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Rhodium-Catalyzed Asymmetric Synthesis of Indanones: Development of a New "Axially Chiral" Bisphosphine Ligand
Authors of publication	Ryo Shintani; Keiji Yashio; Tomoaki Nakamura; Kazuhiro Okamoto; Toyoshi Shimada; Tamio Hayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	2772 - 2773
a	11.64 ± 0.03 Å
b	21.09 ± 0.03 Å
c	11.95 ± 0.02 Å
α	90°
β	94.94 ± 0.08°
γ	90°
Cell volume	2923 ± 10 Å³
Cell temperature	123.1 K
Number of distinct elements	7
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	0.084
Weighted residual factors for all reflections included in the refinement	0.232
Goodness-of-fit parameter for all reflections included in the refinement	0.847
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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