Information card for entry 7026853

Structure parameters

• Common name: Mesityl(quinolin-8-yl)borinic acid
• Chemical name: Mesityl(quinolin-8-yl)borinic acid
• Formula: C18 H18 B N O
• Calculated formula: C18 H18 B N O
• SMILES: c1ccc2cccc(c2n1)B(c1c(cc(cc1C)C)C)O
• Title of publication: Reactivity of the bifunctional ambiphilic molecule 8-(dimesitylboryl)quinoline: hydrolysis and coordination to Cu(I), Ag(I) and Pd(II).
• Authors of publication: Son, Jung-Ho; Pudenz, Michael A.; Hoefelmeyer, James D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 11081 - 11090
• a: 8.06 ± 0.0016 Å
• b: 8.55 ± 0.0017 Å
• c: 13.343 ± 0.003 Å
• α: 92.64 ± 0.03°
• β: 105.65 ± 0.03°
• γ: 117.78 ± 0.03°
• Cell volume: 767.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No