Crystallography Open Database

Information card for entry 1507749

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Structure parameters

Formula	C23 H34 O5 Si
Calculated formula	C23 H34 O5 Si
SMILES	[Si@]1(c2ccc(OC)cc2)(CCCC(=C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C
Title of publication	Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.
Authors of publication	Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	11
Pages of publication	2902 - 2905
a	10.8231 ± 0.0002 Å
b	11.2308 ± 0.0002 Å
c	19.5924 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2381.5 ± 0.08 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93 ± 1 K
Number of distinct elements	4
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	0.0417
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507749.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507749.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507749.cif
59838	2012-06-14	cif/ Adding structures of 1507749 via cif-deposit CGI script.	1507749.cif