Crystallography Open Database

Information card for entry 4110975

Preview

Coordinates	4110975.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mg(HMDS)~2~ Pivalone
Formula	C21 H54 Mg N2 O Si4
Calculated formula	C21 H54 Mg N2 O Si4
Title of publication	Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)
Authors of publication	Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13599 - 13610
a	21.135 ± 0.003 Å
b	8.3722 ± 0.001 Å
c	37.287 ± 0.005 Å
α	90°
β	93.029 ± 0.002°
γ	90°
Cell volume	6588.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.199
Weighted residual factors for all reflections included in the refinement	0.2021
Goodness-of-fit parameter for all reflections included in the refinement	1.291
Diffraction radiation probe	x-ray
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
178880 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09.	4110975.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110975.cif
60184	2012-06-14	cif/ Adding structures of 4110975 via cif-deposit CGI script.	4110975.cif