Crystallography Open Database

Information card for entry 1503184

Preview

Coordinates	1503184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N O2 S
Calculated formula	C21 H21 N O2 S
SMILES	S=C1O[C@@H]2[C@H](N1C(=O)C[C@H](C)c1ccc(cc1)C)c1c(C2)cccc1
Title of publication	Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones.
Authors of publication	Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	19
Pages of publication	4268 - 4270
a	4.5421 ± 0.0009 Å
b	10.033 ± 0.002 Å
c	37.818 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1723.4 ± 0.6 Å³
Cell temperature	155 ± 2 K
Ambient diffraction temperature	155 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1316
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	1503184.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503184.cif
37069	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503184 via cif-deposit CGI script.	1503184.cif