Crystallography Open Database

Information card for entry 1505487

Preview

Coordinates	1505487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H105 Co F6 N2 O5 Sb Si2
Calculated formula	C67.48 H105.96 Co F6 N2 O4.87 Sb Si2
SMILES	C1c2c(c(cc(c2)C(C)(C)C)[Si](CC(C)C)(CC(C)C)CC(C)C)O[Co]23([N]=1[C@H](c1ccccc1)[C@@H](c1ccccc1)[N]2=Cc1c(c(cc(c1)C(C)(C)C)[Si](CC(C)C)(CC(C)C)CC(C)C)O3)[OH2].CCOCC.CCOCC.F[Sb](F)(F)(F)(F)[F-]
Title of publication	Highly enantioselective carbonyl-ene reactions catalyzed by a hindered silyl-salen-cobalt complex.
Authors of publication	Hutson, Gerri E.; Dave, Apurva H.; Rawal, Viresh H.
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	20
Pages of publication	3869 - 3872
a	10.909 ± 0.003 Å
b	14.832 ± 0.004 Å
c	22.953 ± 0.006 Å
α	90°
β	99.361 ± 0.004°
γ	90°
Cell volume	3664.4 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
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.	1505487.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505487.cif
45662	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505487 via cif-deposit CGI script.	1505487.cif