Information card for entry 7026852

Structure parameters

• Common name: 8-(dimesitylboryl)quinoline
• Chemical name: 8-(dimesitylboryl)quinoline
• Formula: C27 H28 B N
• Calculated formula: C27 H28 B N
• SMILES: c1ccc2cccc(c2n1)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 8.205 ± 0.003 Å
• b: 11.278 ± 0.004 Å
• c: 13.017 ± 0.005 Å
• α: 113.018 ± 0.004°
• β: 90.617 ± 0.004°
• γ: 105.553 ± 0.004°
• Cell volume: 1058.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No