Crystallography Open Database

Information card for entry 4103918

Preview

Coordinates	4103918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 Li2 O6 Zn
Calculated formula	C36 H44 Li2 O6 Zn
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	12.03 ± 0.005 Å
b	17.467 ± 0.005 Å
c	17.5333 ± 0.0014 Å
α	90°
β	107.689 ± 0.011°
γ	90°
Cell volume	3510 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1093
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
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.	4103918.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103918.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103918.cif
28395	2011-10-26	../uploads/cif-deposit/cod/cif Adding structures of 4103918 via cif-deposit CGI script.	4103918.cif