Crystallography Open Database

Information card for entry 4123090

Preview

Coordinates	4123090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 O2 Si
Calculated formula	C19 H27 O2 Si
SMILES	[Si](CC(=C(C1CCCCC1)\C)\C(=O)[O-])(c1ccccc1)(C)C
Title of publication	Copper-Catalyzed Regiodivergent Silacarboxylation of Allenes with Carbon Dioxide and a Silylborane.
Authors of publication	Tani, Yosuke; Fujihara, Tetsuaki; Terao, Jun; Tsuji, Yasushi
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141212124847001
a	6.799 ± 0.002 Å
b	17.085 ± 0.005 Å
c	17.516 ± 0.005 Å
α	68.123 ± 0.011°
β	83.058 ± 0.014°
γ	77.859 ± 0.014°
Cell volume	1843.9 ± 0.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179032 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/30.	4123090.cif
128638	2014-12-13	cif/ Adding structures of 4123090 via cif-deposit CGI script.	4123090.cif