Crystallography Open Database

Information card for entry 4103166

Preview

Coordinates	4103166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H40 Li N2 P S
Calculated formula	C21 H40 Li N2 P S
Title of publication	Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine
Authors of publication	Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13922 - 13927
a	11.5593 ± 0.0008 Å
b	11.6886 ± 0.0008 Å
c	33.86 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4574.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0533
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
178777 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/31.	4103166.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103166.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103166.cif
26121	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103166 via cif-deposit CGI script.	4103166.cif