Information card for entry 2224887

Structure parameters

• Common name: 1-Butylquinine tetrafluoroborate
• Chemical name: (2<i>S</i>,4<i>S</i>,8<i>R</i>)-1-butyl-2-[(<i>R</i>)-(hydroxy)(6- methoxyquinolin-4-yl)methyl]-8-vinylquinuclidin-1-ium tetrafluoroborate
• Formula: C24 H33 B F4 N2 O2
• Calculated formula: C24 H33 B F4 N2 O2
• Title of publication: 1-Butylquinine tetrafluoroborate
• Authors of publication: Eltaief, Sana; Retailleau, Pascal; Straver, Leo; Ben Hassine, Béchir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o281
• a: 8.041 ± 0.008 Å
• b: 12.597 ± 0.012 Å
• c: 22.91 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2321 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No