Information card for entry 7109847

Structure parameters

• Formula: C26 H28 B10
• Calculated formula: C26 H28 B10
• SMILES: [B]1234([BH]567[BH]89%10[B]%11%12%13([BH]%14%15%16[BH]%178%11[BH]859[BH]516[BH]2%14([BH]%15%1785)[C]4%13%16([C]37%10%12c1ccccc1)c1ccccc1)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: 18.545 ± 0.003 Å
• b: 10.3481 ± 0.0015 Å
• c: 13.6761 ± 0.0019 Å
• α: 90°
• β: 108.811 ± 0.003°
• γ: 90°
• Cell volume: 2484.3 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No