Crystallography Open Database

Information card for entry 1505660

Preview

Coordinates	1505660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H37 Fe N3 P2
Calculated formula	C44 H37 Fe N3 P2
SMILES	[Fe]12345678([c]9(P(c%10ccccc%10)c%10ccccc%10)[c]1([cH]2[cH]3[cH]49)[C@@H](n1nnc(c1P(c1ccccc1)c1ccccc1)c1ccccc1)C)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.
Authors of publication	Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	26
Pages of publication	5557 - 5560
a	13.618 ± 0.017 Å
b	10.383 ± 0.011 Å
c	13.95 ± 0.02 Å
α	90°
β	116.34 ± 0.04°
γ	90°
Cell volume	1768 ± 4 Å³
Cell temperature	123.1 K
Number of distinct elements	5
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	0.0326
Weighted residual factors for all reflections included in the refinement	0.0345
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	1505660.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505660.cif
45808	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 1505660 via cif-deposit CGI script.	1505660.cif