Information card for entry 1551891

Structure parameters

• Formula: C42 H46 B F18 N O2 Si
• Calculated formula: C41.9996 H45.9992 B F18 N O1.9999 Si
• Title of publication: Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals
• Authors of publication: Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 9
• Pages of publication: 868 - 873
• a: 10.6934 ± 0.0003 Å
• b: 17.4932 ± 0.0004 Å
• c: 24.2485 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4536 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.1037
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.579
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No