Crystallography Open Database

Information card for entry 4121808

Preview

Coordinates	4121808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Si
Calculated formula	C26 H24 Si
SMILES	[Si@@]1(c2c3ccccc3ccc2c2ccccc12)(c1ccccc1)C(C)(C)C
Title of publication	Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization
Authors of publication	Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Journal issue	17
Pages of publication	7305 - 7308
a	11.2001 ± 0.0003 Å
b	7.35727 ± 0.00017 Å
c	24.4176 ± 0.0005 Å
α	90°
β	99.6203 ± 0.0017°
γ	90°
Cell volume	1983.77 ± 0.08 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93 ± 1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Duplicate of	4117895
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219260 (current)	2019-10-10	cif/4/ Marked entry 4121808 as a duplicate of entry 4117895.	4121808.cif
219259	2019-10-10	cif/4/ Updated bibliographic information in entries 4117895-4117896, 4121808.	4121808.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.	4121808.cif
170212	2015-11-09	cif/4: Fixing some Z values and formulae.	4121808.cif
113632	2014-05-13	cif/ Adding structures of 4121808 via cif-deposit CGI script.	4121808.cif