Crystallography Open Database

Information card for entry 4072195

Preview

Coordinates	4072195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H58 Li2 N4 O2
Calculated formula	C34 H58 Li2 N4 O2
Title of publication	Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate
Authors of publication	Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	5860
a	16.4657 ± 0.0008 Å
b	12.1496 ± 0.0006 Å
c	8.7833 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1757.11 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	0.865
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178610 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21.	4072195.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072195.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072195.cif
44284	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072193, 4072194, 4072195, 4072196 via cif-deposit CGI script.	4072195.cif