Information card for entry 7123719

Structure parameters

• Formula: C20 H32 B10 O4
• Calculated formula: C20 H32 B10 O4
• Title of publication: Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.
• Authors of publication: Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.0593 ± 0.0007 Å
• b: 13.3337 ± 0.0006 Å
• c: 16.6231 ± 0.0009 Å
• α: 95.7 ± 0.004°
• β: 110.824 ± 0.005°
• γ: 111.529 ± 0.004°
• Cell volume: 2427.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No