Crystallography Open Database

Information card for entry 7150900

Preview

Coordinates	7150900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Cl N O Si2
Calculated formula	C30 H36 Cl N O Si2
SMILES	[Si]1(c2ccccc2CC1)(C(C)(C)C)OC(C#C[Si](C)(C)C)(c1ccc(cc1)Cl)Cc1ncccc1
Title of publication	Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane
Authors of publication	Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	8
Pages of publication	1435 - 1440
a	10.2053 ± 0.0004 Å
b	10.5866 ± 0.0005 Å
c	16.192 ± 0.0008 Å
α	72.052 ± 0.002°
β	80.971 ± 0.002°
γ	62.274 ± 0.004°
Cell volume	1472.97 ± 0.13 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
180295 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/09.	7150900.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150900.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150900.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7150900.cif