Crystallography Open Database

Information card for entry 4306089

Preview

Coordinates	4306089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 B10 O
Calculated formula	C6 H24 B10 O
SMILES	[BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]978[B]76([BH]35([BH]34%10[BH]12([H]%11)[H]3)[H]7)(CCCCC(=O)C)[H]9
Title of publication	Ionic-Liquid-Promoted Decaborane Olefin-Hydroboration: A New Efficient Route to 6-R-B10H13 Derivatives
Authors of publication	Upal Kusari; Patrick J. Carroll; Larry G. Sneddon
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9203 - 9215
a	17.1457 ± 0.0015 Å
b	13.4183 ± 0.0011 Å
c	25.82 ± 0.002 Å
α	90°
β	96.949 ± 0.002°
γ	90°
Cell volume	5896.7 ± 0.8 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
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	0.1026
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1692
Weighted residual factors for all reflections included in the refinement	0.1993
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179098 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/60.	4306089.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306089.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306089.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306089.cif