Information card for entry 7109848

Structure parameters

• Formula: C26 H24 B10 Cr2 O6
• Calculated formula: C26 H24 B10 Cr2 O6
• SMILES: [Cr]12345([c]6([C]789%10[B]%11%12%13([BH]%14%157[BH]7%168[BH]8%179[BH]9%18%19[BH]%20%11([BH]%11%12%14[BH]%12%157[BH]%1689[BH]%18%20%11%12)[C]%10%13%17%19[c]78[Cr]9%10%11%12([cH]7[cH]9[cH]%10[cH]%11[cH]8%12)(C#[O])(C#[O])C#[O])c7ccccc7)[cH]1[cH]2[cH]3[cH]4[cH]56)(C#[O])(C#[O])C#[O]
• 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: 16.531 ± 0.003 Å
• b: 11.276 ± 0.002 Å
• c: 15.77 ± 0.003 Å
• α: 90°
• β: 94.878 ± 0.003°
• γ: 90°
• Cell volume: 2928.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No