Information card for entry 7026854

Structure parameters

• Common name: 8-(dimesitylboryl)-1-methylquinolinium triflate dichloromethane solvate
• Chemical name: 8-(dimesitylboryl)-1-methylquinolinium triflate dichloromethane solvate
• Formula: C30 H33 B Cl2 F3 N O3 S
• Calculated formula: C30 H33 B Cl2 F3 N O3 S
• SMILES: c1ccc2cccc(c2[n+]1C)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• 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: 8.3454 ± 0.0018 Å
• b: 13.054 ± 0.003 Å
• c: 14.304 ± 0.003 Å
• α: 89.985 ± 0.002°
• β: 76.034 ± 0.002°
• γ: 88.216 ± 0.002°
• Cell volume: 1511.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No