Crystallography Open Database

Information card for entry 4068929

Preview

Coordinates	4068929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 Li N2
Calculated formula	C14 H22 Li N2
Title of publication	Thermodynamically Favored Anion Rearrangements in Li and Na Complexes of (S)-N-α-(Methylbenzyl)allylamine
Authors of publication	Andrews, Philip C.; Koutsaplis, Magdaline; Robertson, Evan G.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1697
a	8.1036 ± 0.0016 Å
b	18.364 ± 0.004 Å
c	9.85 ± 0.002 Å
α	90°
β	108.81 ± 0.03°
γ	90°
Cell volume	1387.5 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1504
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2198
Weighted residual factors for all reflections included in the refinement	0.2572
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068929.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068929.cif
40048	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068927, 4068928, 4068929 via cif-deposit CGI script.	4068929.cif