Crystallography Open Database

Information card for entry 4106980

Preview

Structure parameters

Formula	C25 H23 F O Si
Calculated formula	C25 H23 F O Si
SMILES	[Si@]12(c3ccc(OC)cc3)C(=C(c3ccccc3)CCC2)c2c(ccc(F)c2)C1
Title of publication	Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter
Authors of publication	Ryo Shintani; Kohei Moriya; Tamio Hayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	16440 - 16443
a	8.9064 ± 0.00016 Å
b	9.63387 ± 0.00018 Å
c	22.8974 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1964.67 ± 0.06 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93 ± 1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4106980.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106980.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106980.cif
54510	2012-04-27	cif/ Adding structures of 4106980 via cif-deposit CGI script.	4106980.cif