Information card for entry 4032823

Structure parameters

• Formula: C24 H29 F3 N2 O3 Si
• Calculated formula: C24 H29 F3 N2 O3 Si
• SMILES: [Si](O[C@H]([C@@H](C(=O)N1c2ncccc2CC1)C(F)(F)F)C(=O)c1ccccc1)(C(C)(C)C)(C)C
• Title of publication: Direct Catalytic Asymmetric Aldol Addition of an α-CF3 Amide to Arylglyoxal Hydrates.
• Authors of publication: Matsuzawa, Akinobu; Noda, Hidetoshi; Kumagai, Naoya; Shibasaki, Masakatsu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 15
• Pages of publication: 8304 - 8308
• a: 8.57829 ± 0.00016 Å
• b: 18.2622 ± 0.0003 Å
• c: 15.8812 ± 0.0003 Å
• α: 90°
• β: 95.524 ± 0.007°
• γ: 90°
• Cell volume: 2476.37 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No