Information card for entry 7116994

Structure parameters

• Formula: C12 H22 B10 O
• Calculated formula: C12 H22 B10 O
• SMILES: O=C(c1ccc(cc1)[B]1234[BH]567[BH]891[BH]1%102[C]2%11%12([C]%13%14%15(C)[BH]%166([BH]645[BH]312[BH]%12%15%166)[BH]78%13[BH]9%10%11%14)C)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: 24.2272 ± 0.0013 Å
• b: 13.0711 ± 0.0006 Å
• c: 23.5734 ± 0.001 Å
• α: 90°
• β: 108.334 ± 0.005°
• γ: 90°
• Cell volume: 7086.2 ± 0.6 ų
• Cell temperature: 294.29 ± 0.1 K
• Ambient diffraction temperature: 294.29 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2095
• Residual factor for significantly intense reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.2992
• Weighted residual factors for all reflections included in the refinement: 0.3787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No