Crystallography Open Database

Information card for entry 1502118

Preview

Coordinates	1502118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 N O S Si
Calculated formula	C22 H25 N O S Si
SMILES	[Si]([C@H](NS(=O)c1ccc(cc1)C)c1ccccc1)(C)(C)c1ccccc1
Title of publication	Activation of the Si-B linkage: copper-catalyzed addition of nucleophilic silicon to imines.
Authors of publication	Vyas, Devendra J.; Fröhlich, Roland; Oestreich, Martin
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2094 - 2097
a	11.1147 ± 0.0006 Å
b	6.7725 ± 0.0003 Å
c	14.8896 ± 0.0011 Å
α	90°
β	108.29 ± 0.004°
γ	90°
Cell volume	1064.18 ± 0.11 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502118.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502118.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502118.cif
35436	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502118 via cif-deposit CGI script.	1502118.cif