Crystallography Open Database

Information card for entry 1516460

Preview

Coordinates	1516460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 N O2 S
Calculated formula	C15 H23 N O2 S
SMILES	S(=O)(=O)(N[C@H]1CC([C@H](C1)C)(C)C)c1ccc(cc1)C
Title of publication	Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.
Authors of publication	Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	11
Pages of publication	3162 - 3165
a	10.2019 ± 0.0012 Å
b	13.2716 ± 0.0008 Å
c	11.3946 ± 0.0009 Å
α	90°
β	100.893 ± 0.008°
γ	90°
Cell volume	1515 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
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.	1516460.cif
119313	2014-07-05	cif/ Updating files of 1516457, 1516458, 1516459, 1516460 Original log message: Adding full bibliography for 1516457--1516460.cif.	1516460.cif
114936	2014-05-30	cif/ Adding structures of 1516457, 1516458, 1516459, 1516460 via cif-deposit CGI script.	1516460.cif