Information card for entry 7123509

Structure parameters

• Formula: C23 H34 B F6 N3 O6 S2
• Calculated formula: C23 H34 B F6 N3 O6 S2
• Title of publication: Enantioselective reduction of N-alkyl ketimines with frustrated Lewis pair catalysis using chiral borenium ions
• Authors of publication: Mercea, Dan; Howlett, Michael; Piascik, Adam D.; Scott, Daniel; Steven, Alan; Ashley, Andrew Edward; Fuchter, Matthew
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.6336 ± 0.0003 Å
• b: 10.6336 ± 0.0003 Å
• c: 22.522 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2205.46 ± 0.11 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173.05 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No