Crystallography Open Database

Information card for entry 1507011

Preview

Coordinates	1507011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 Cl2 F6 P2 Rh Sb
Calculated formula	C44 H38 Cl2 F6 P2 Rh Sb
SMILES	[Sb](F)(F)([F-])(F)(F)F.[Rh]1234([P](c5ccccc5c5c([P]1(c1ccccc1)c1ccccc1)cccc5)(c1ccccc1)c1ccccc1)[CH]1=[CH]2C2[CH]3=[CH]4C1C2.ClCCl
Title of publication	Racemic but tropos (chirally flexible) BIPHEP ligands for Rh(I)-complexes: highly enantioselective ene-type cyclization of 1,6-enynes.
Authors of publication	Mikami, Koichi; Kataoka, Shohei; Yusa, Yukinori; Aikawa, Kohsuke
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	21
Pages of publication	3699 - 3701
a	14.065 ± 0.004 Å
b	13.737 ± 0.004 Å
c	21.407 ± 0.006 Å
α	90°
β	97.789 ± 0.004°
γ	90°
Cell volume	4098 ± 2 Å³
Cell temperature	173.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507011.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507011.cif
51608	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507011 via cif-deposit CGI script.	1507011.cif