Crystallography Open Database

Information card for entry 4110115

Preview

Coordinates	4110115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Cl N O4 Si
Calculated formula	C25 H28 Cl N O4 Si
SMILES	Clc1ccc(cc1)[C@@H](N(c1ccccc1OC)O[Si](C)(C)C)C(=O)c1ccc(cc1)OC
Title of publication	Enantioselective Metallophosphite-Catalyzed C-Acylation of Nitrones
Authors of publication	Mary R. Garrett; James C. Tarr; Jeffrey S. Johnson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12944 - 12945
a	22.6163 ± 0.0005 Å
b	9.1104 ± 0.0002 Å
c	15.1209 ± 0.0003 Å
α	90°
β	126.134 ± 0.001°
γ	90°
Cell volume	2516.25 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178872 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01.	4110115.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110115.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110115.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110115.cif