Information card for entry 7116995

Structure parameters

• Formula: C10 H20 B10
• Calculated formula: C10 H20 B10
• SMILES: [C]1234([C]567(C)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[B]%11%102(c2ccccc2)[BH]291[BH]168[BH]734[BH]5%1121)C
• Title of publication: Palladium catalyzed selective mono-arylation of o-carboranes via B-H activation
• Authors of publication: Ke Cao; Yawen Huang; Junxiao Yang; Ji Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7257
• a: 24.322 ± 0.005 Å
• b: 8.2628 ± 0.0008 Å
• c: 15.382 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3091.3 ± 0.9 ų
• Cell temperature: 294.17 ± 0.1 K
• Ambient diffraction temperature: 294.17 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2706
• Residual factor for significantly intense reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.3209
• Weighted residual factors for all reflections included in the refinement: 0.4433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No