The crystal structure of o-(1,2-dicarba-closo-dodecaborane-1-yl)methyl-cholesterol

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Title:The crystal structure of o-(1,2-dicarba-closo-dodecaborane-1-yl)methyl-cholesterol
Creators:
Šubrtová, Věra
Petříček, Václav
Malý, Karel
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 56, 10, pp. 1983-1992

Abstract

The structure of C<sub>2</sub>B<sub>10</sub>H<sub>11</sub>.CH<sub>2</sub>C<sub>27</sub>H<sub>45</sub>O was determined by X-ray diffraction. This compound crystallizes in the orthorhombic system with the <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> space group. The unit cell parameters are <i>a</i> = 994.0(4), <i>b</i> = 3 231.0(7), <i>c</i> = 1 039.6(2) pm, <i>V</i> = 3 338 . 10<sup>6</sup> pm<sup>3</sup>, <i>Z</i> = 4, calculated density <i>D</i><sub>c</sub> = 1.080Mg m<sup>-3</sup>. <i>M</i><sub>r</sub> = 542.9, linear absorption coefficient μ(MoK α) = 0.54 cm<sup>-1</sup> <i>F</i>(000) = 1 184. Intensities were measured at room temperature, radiation used λ(MoK α) = 71.073 pm. Final <i>R</i> = 0.063 for 2 099 observed independent reflections. The studied molecule is built from <i>ortho</i>-carborane icosahedron connected with the cholesterol through the methylene CH<sub>2</sub> group bonded to the icosahedral carbon atom C(B1) (C-C= 151.0(7) pm) and to the oxygen atom of the cholesterol (C-O = 138.3(7) pm). Valence angle C(B1)-C-O = 108(2)°, torsion angle C(B1)-C-O-C(3) = 164(4)°.

Title:The crystal structure of o-(1,2-dicarba-closo-dodecaborane-1-yl)methyl-cholesterol
Creators:
Šubrtová, Věra
Petříček, Václav
Malý, Karel
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:56
Number:10
Page Range:pp. 1983-1992
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19911983UNSPECIFIED
ID Code:5128
Item Type:Article
Deposited On:22 Feb 2010 11:31
Last Modified:22 Feb 2010 10:31

Citation

Šubrtová, Věra; Petříček, Václav; Malý, Karel (1991) The crystal structure of o-(1,2-dicarba-closo-dodecaborane-1-yl)methyl-cholesterol. Collection of Czechoslovak Chemical Communications, 56 (10). pp. 1983-1992. ISSN 0010-0765

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