Crystallography Open Database

Information card for entry 4115408

Preview

Coordinates	4115408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Co2 O9 Si
Calculated formula	C18 H20 Co2 O9 Si
SMILES	[C]12(=[C]3([C@H](CC)O[C@H]4CCOC4=O)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C
Title of publication	Intramolecular Silicon-Assisted Cross-Coupling: Total Synthesis of (+)-Brasilenyne
Authors of publication	Scott E. Denmark; Shyh-Ming Yang
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	15196 - 15197
a	8.3625 ± 0.001 Å
b	32.698 ± 0.004 Å
c	8.8068 ± 0.0011 Å
α	90°
β	107.747 ± 0.002°
γ	90°
Cell volume	2293.5 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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 all reflections	0.0752
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
178925 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/54.	4115408.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115408.cif
68879	2012-11-21	cif/ Adding structures of 4115408 via cif-deposit CGI script.	4115408.cif