Crystallography Open Database

Information card for entry 1507469

Preview

Coordinates	1507469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Co2 O11 Si
Calculated formula	C20 H22 Co2 O11 Si
SMILES	[Co]12([Co]3([C]1(C)=[C]23[C@@H]1O[C@H]([Si](C)(C)C)[C@H]([C@H]1C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([C]1(C)=[C]23[C@H]1O[C@@H]([Si](C)(C)C)[C@@H]([C@@H]1C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Cobalt Cluster-Containing Carbonyl Ylides for Catalytic, Three-Component Assembly of Oxygen Heterocycles
Authors of publication	Skaggs, Aaron J.; Lin, Eleanor Y.; Jamison, Timothy F.
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	13
Pages of publication	2277
a	11.678 ± 0.006 Å
b	9.253 ± 0.005 Å
c	24.678 ± 0.013 Å
α	90°
β	94.235 ± 0.009°
γ	90°
Cell volume	2659 ± 2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.245
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507469.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507469.cif
53990	2012-04-20	cif/ Adding structures of 1507469 via cif-deposit CGI script.	1507469.cif