Crystallography Open Database

Information card for entry 4074572

Preview

Coordinates	4074572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 Fe
Calculated formula	C23 H32 Fe
SMILES	[Fe]123456789[c]%10(CC=C(C[c]%115[cH]6[cH]7[cH]8[cH]9%11)C)[c]1([cH]2[c]3([cH]4%10)C(C)(C)C)C(C)(C)C
Title of publication	Kinetic Resolution of Planar-Chiral Ferrocenes by Molybdenum-Catalyzed Enantioselective Metathesis
Authors of publication	Ogasawara, Masamichi; Watanabe, Susumu; Fan, Liyan; Nakajima, Kiyohiko; Takahashi, Tamotsu
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	22
Pages of publication	5201
a	16.411 ± 0.008 Å
b	10.432 ± 0.004 Å
c	14.034 ± 0.007 Å
α	90°
β	122.141 ± 0.016°
γ	90°
Cell volume	2034.4 ± 1.7 Å³
Cell temperature	298.1 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71075 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.	4074572.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074572.cif
48454	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074572 via cif-deposit CGI script.	4074572.cif