Crystallography Open Database

Information card for entry 4082682

Preview

Coordinates	4082682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 B2 Br2 Li2 O
Calculated formula	C16 H24 B2 Br2 Li2 O
Title of publication	High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes
Authors of publication	Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	5
Pages of publication	1291
a	10.5663 ± 0.001 Å
b	7.9451 ± 0.0005 Å
c	23.736 ± 0.003 Å
α	90°
β	91.6 ± 0.009°
γ	90°
Cell volume	1991.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178715 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26.	4082682.cif
132087	2015-02-19	cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'.	4082682.cif
106764	2014-03-16	cif/ Adding structures of 4082678, 4082679, 4082680, 4082681, 4082682, 4082683, 4082684, 4082685 via cif-deposit CGI script.	4082682.cif