Information card for entry 7109845

Structure parameters

• Formula: C20 H24 B10
• Calculated formula: C20 H24 B10
• SMILES: [B]1234([BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]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: 8.2745 ± 0.0007 Å
• b: 15.5626 ± 0.0013 Å
• c: 16.2094 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2087.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No