Crystallography Open Database

Information card for entry 4109097

Preview

Coordinates	4109097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H76 Cl6 O2 P3 Rh3
Calculated formula	C78 H76 Cl6 O2 P3 Rh3
SMILES	[Rh]123([O]4[Rh]56([OH]1[Rh]417[P]([C@H]4[C@H]8[CH]1=[C]7([C@@H]4CC8)c1ccccc1)(c1ccccc1)c1ccccc1)[P]([C@H]1[C@H]4[CH]5=[C]6([C@@H]1CC4)c1ccccc1)(c1ccccc1)c1ccccc1)[P]([C@H]1[C@H]4[CH]2=[C]3([C@@H]1CC4)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl
Title of publication	Chiral Phosphine-Olefin Ligands in the Rhodium-Catalyzed Asymmetric 1,4-Addition Reactions
Authors of publication	Wei-Liang Duan; Hiroshi Iwamura; Ryo Shintani; Tamio Hayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2130 - 2138
a	15.182 ± 0.001 Å
b	19.779 ± 0.002 Å
c	23.308 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6999 ± 1 Å³
Cell temperature	296.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections included in the refinement	0.036
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109097.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109097.cif
57849	2012-05-22	cif/ Adding structures of 4109097 via cif-deposit CGI script.	4109097.cif