Crystallography Open Database

Information card for entry 4118768

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Structure parameters

Formula	C23 H24 O Si
Calculated formula	C23 H24 O Si
SMILES	[Si@@]1(Oc2ccccc2c2c1cc(cc2)C)(C(C)(C)C)c1ccccc1
Title of publication	Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation
Authors of publication	Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	16955 - 16958
a	7.31328 ± 0.00017 Å
b	13.5237 ± 0.0003 Å
c	19.3724 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1915.98 ± 0.07 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	0.057
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4118768.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.	4118768.cif
76326	2013-03-17	cif/ Adding structures of 4118768 via cif-deposit CGI script.	4118768.cif