Information card for entry 4066886

Structure parameters

• Formula: C22 H24.67 B0.67
• Calculated formula: C22 H24.6667 B0.666667
• SMILES: c1(cc(c(c(c1)C)c1ccc(cc1)B(c1c(cc(cc1C)C)C)c1c(C)cc(C)cc1C)C)C
• Title of publication: Reactivity of Aryldimesitylboranes under Suzuki−Miyaura Coupling Conditions
• Authors of publication: Wang, Nan; Hudson, Zachary M.; Wang, Suning
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4007
• a: 12.395 ± 0.002 Å
• b: 14.662 ± 0.002 Å
• c: 15.449 ± 0.003 Å
• α: 83.122 ± 0.004°
• β: 81.769 ± 0.003°
• γ: 86.749 ± 0.004°
• Cell volume: 2756.5 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No