Crystallography Open Database

Information card for entry 4117339

Preview

Coordinates	4117339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H49 Cl F6 N2 P2 Rh Sb
Calculated formula	C30 H49 Cl F6 N2 P2 Rh Sb
SMILES	C[P@]1(C(C)(C)C)c2c(nc3c(cccc3)n2)[P@](C)(C(C)(C)C)[Rh]2341[CH]1=[CH]2CC[CH]3=[CH]4CC1.C[C@@H](CC)Cl.[F-][Sb](F)(F)(F)(F)F
Title of publication	Rigid P-Chiral Phosphine Ligands with tert-Butylmethylphosphino Groups for Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Alkenes
Authors of publication	Tsuneo Imamoto; Ken Tamura; Zhenfeng Zhang; Yumi Horiuchi; Masashi Sugiya; Kazuhiro Yoshida; Akira Yanagisawa; Ilya D. Gridnev
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1754 - 1769
a	9.11 ± 0.009 Å
b	16.152 ± 0.015 Å
c	24.27 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	3571 ± 6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178944 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/73.	4117339.cif
74415	2013-02-27	cif/ Adding structures of 4117339 via cif-deposit CGI script.	4117339.cif