Crystallography Open Database

Information card for entry 4026749

Preview

Coordinates	4026749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Br2 Mg O4
Calculated formula	C16 H32 Br2 Mg O4
Title of publication	Hydride as a Leaving Group in the Reaction of Pinacolborane with Halides under Ambient Grignard and Barbier Conditions. One-Pot Synthesis of Alkyl, Aryl, Heteroaryl, Vinyl, and Allyl Pinacolboronic Esters
Authors of publication	Jacob W. Clary; Terry J. Rettenmaier; Rachel Snelling; Whitney Bryks; Jesse Banwell; W. Todd Wipke; Bakthan Singaram
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	9602 - 9610
a	7.7653 ± 0.0005 Å
b	7.7653 ± 0.0005 Å
c	17.0129 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1025.88 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	94
Hermann-Mauguin space group symbol	P 42 21 2
Hall space group symbol	P 4n 2n
Residual factor for all reflections	0.0202
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.0424
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
178446 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/67.	4026749.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026749.cif
40824	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4026749 via cif-deposit CGI script.	4026749.cif