Crystallography Open Database

Information card for entry 4112800

Preview

Coordinates	4112800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 Co O4
Calculated formula	C24 H35 Co O4
SMILES	[Co]1234567([CH]8=[C]1([C]2(=[CH]3C(CC8)C(C(=O)OC)C(=O)OC)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
Title of publication	Cobalt-Mediated Two-Carbon Ring Expansion of Five-Membered Rings. Electrophilic Carbon-Carbon Bond Activation in the Synthesis of Seven-Membered Rings
Authors of publication	Trevor L. Dzwiniel; Jeffrey M. Stryker
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9184 - 9185
a	16.419 ± 0.0007 Å
b	8.6648 ± 0.0003 Å
c	16.2655 ± 0.0007 Å
α	90°
β	100.458 ± 0.004°
γ	90°
Cell volume	2275.61 ± 0.16 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
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	0.0596
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178899 (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 4/11/28.	4112800.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112800.cif
65216	2012-09-05	cif/ Adding structures of 4112800 via cif-deposit CGI script.	4112800.cif