Information card for entry 7109846

Structure parameters

• Formula: C20 H24 B10
• Calculated formula: C20 H24 B10
• SMILES: [B]1234([BH]567[BH]89%10[B]%11%12%13([BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[CH]4%13%16[C]37%10%12c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: A three-dimensional pi-electron acceptor, tri-phenyl-o-carborane, bearing a rigid conformation with end-on phenyl units
• Authors of publication: Guo Fan Jin; Jo-Hyun Hwang; Jong-Dae Lee; Kyung-Ryang Wee; Il-Hwan Suh; Sang Ook Kang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9398
• a: 12.5359 ± 0.0008 Å
• b: 12.915 ± 0.0008 Å
• c: 13.3882 ± 0.0008 Å
• α: 90°
• β: 99.612 ± 0.001°
• γ: 90°
• Cell volume: 2137.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No