Crystallography Open Database

Information card for entry 4103919

Preview

Coordinates	4103919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H29 Li N2 O Zn
Calculated formula	C15 H29 Li N2 O Zn
SMILES	[Zn]1([CH3][Li]2([N](C)(C)CC[N]2(C)C)[O](c2c1cccc2)C)C
Title of publication	Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates
Authors of publication	William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2375 - 2384
a	8.3053 ± 0.0003 Å
b	13.0406 ± 0.0003 Å
c	16.4544 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1782.11 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0411
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0406
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	0.887
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
178785 (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 4/10/39.	4103919.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103919.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103919.cif
28396	2011-10-26	../uploads/cif-deposit/cod/cif Adding structures of 4103919 via cif-deposit CGI script.	4103919.cif