Information card for entry 1573010

Structure parameters

• Formula: C28 H34 N2 O3
• Calculated formula: C28 H34 N2 O3
• SMILES: O[C@@]([C@@H](Nc1ccc(cc1)C(C)(C)C)C(=O)OC(C)(C)C)(c1ccccc1)c1ncccc1
• Title of publication: Visible-light-driven asymmetric aldol reaction of ketones and glycinates <i>via</i> synergistic Lewis acid/photoredox catalysis.
• Authors of publication: Tan, Jiuqi; Yang, Longqing; Su, Hanyu; Yang, Yuntian; Zhong, Ziwei; Feng, Xiaoming; Liu, Xiaohua
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 16050 - 16058
• a: 5.994 ± 0.0001 Å
• b: 16.4455 ± 0.0004 Å
• c: 24.7082 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2435.59 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0777
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No