Information card for entry 7123720

Structure parameters

• Formula: C41 H57 B20 Cl3
• Calculated formula: C41 H57 B20 Cl3
• 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: 17.596 ± 0.005 Å
• b: 11.332 ± 0.003 Å
• c: 25.121 ± 0.007 Å
• α: 90°
• β: 106.586 ± 0.004°
• γ: 90°
• Cell volume: 4801 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No