Information card for entry 1551889

Structure parameters

• Formula: C29 H31 F14 N O Si
• Calculated formula: C29 H31 F14 N O Si
• SMILES: C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)([C@@H]1CC(CN1)(F)F)O[Si](C)(C)C(C)(C)C(C)C
• 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: 8.6241 ± 0.0001 Å
• b: 9.7969 ± 0.0002 Å
• c: 18.9232 ± 0.0003 Å
• α: 80.469 ± 0.002°
• β: 83.314 ± 0.001°
• γ: 76.243 ± 0.002°
• Cell volume: 1526.55 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No