Crystallography Open Database

Information card for entry 1503879

Preview

Coordinates	1503879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 N O2 S2
Calculated formula	C15 H27 N O2 S2
SMILES	S1C[C@@H](N(C1=S)C(=O)[C@H](C)[C@@](OC)(C)C(C)C)C(C)C
Title of publication	New approach to the stereoselective synthesis of tertiary methyl ethers.
Authors of publication	Checa, Begoña; Gálvez, Erik; Parelló, Ricard; Sau, Miriam; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè; Solans, Xavier
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	10
Pages of publication	2193 - 2196
a	19.68 ± 0.002 Å
b	6.923 ± 0.003 Å
c	15.753 ± 0.002 Å
α	90°
β	125.7 ± 0.02°
γ	90°
Cell volume	1742.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation wavelength	0.71069 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.	1503879.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503879.cif
39167	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503879 via cif-deposit CGI script.	1503879.cif