Crystallography Open Database

Information card for entry 7036439

Preview

Coordinates	7036439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 B Br O2 Si
Calculated formula	C23 H30 B Br O2 Si
Title of publication	The carboboration of Me3Si-substituted alkynes and allenes with boranes and borocations.
Authors of publication	Lawson, James R.; Fasano, Valerio; Cid, Jessica; Vitorica-Yrezabal, Inigo; Ingleson, Michael J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6060 - 6070
a	11.5585 ± 0.0007 Å
b	18.482 ± 0.0008 Å
c	12.0048 ± 0.0009 Å
α	90°
β	115.161 ± 0.008°
γ	90°
Cell volume	2321.2 ± 0.3 Å³
Cell temperature	150.02 ± 0.1 K
Ambient diffraction temperature	150.02 ± 0.1 K
Number of distinct elements	6
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	0.0929
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
181717 (current)	2016-04-05	cif/ Updating files of 7036438, 7036439 Original log message: Adding full bibliography for 7036438--7036439.cif.	7036439.cif
155489	2015-09-09	cif/ Adding structures of 7036438, 7036439 via cif-deposit CGI script.	7036439.cif