Crystallography Open Database

Information card for entry 4112801

Preview

Coordinates	4112801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H39 B Cl3 Co F4 Si2
Calculated formula	C23 H39 B Cl3 Co F4 Si2
SMILES	[Co]12345678([CH]9=[C]1([Si](C)(C)C)[C]2([Si](C)(C)C)=[CH]3C4CC9)[c]1([cH]5[cH]6[cH]7[cH]81)C(C)(C)C.[B](F)(F)(F)[F-].ClC(Cl)Cl
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	10.0706 ± 0.0015 Å
b	11.0942 ± 0.0019 Å
c	13.396 ± 0.002 Å
α	92.638 ± 0.013°
β	96.004 ± 0.012°
γ	95.3 ± 0.013°
Cell volume	1479.8 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1392
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
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.	4112801.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112801.cif
65217	2012-09-05	cif/ Adding structures of 4112801 via cif-deposit CGI script.	4112801.cif