Crystallography Open Database

Information card for entry 1506082

Preview

Coordinates	1506082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H28 O2 S2 Si
Calculated formula	C15 H28 O2 S2 Si
Title of publication	Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.
Authors of publication	Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	18
Pages of publication	3891 - 3894
a	22.425 ± 0.002 Å
b	12.731 ± 0.0011 Å
c	13.8126 ± 0.0013 Å
α	90°
β	105.313 ± 0.008°
γ	90°
Cell volume	3803.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54248 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1506082.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506082.cif
47983	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506082, 1506083 via cif-deposit CGI script.	1506082.cif