Information card for entry 7130044

Structure parameters

• Formula: C25 H31 N3 O3
• Calculated formula: C25 H31 N3 O3
• SMILES: C1(=O)C[C@@H](c2ccccc2)N([C@@H](c2ccccc2)C2(CCC2)NC(=O)OC(C)(C)C)N1.C1(=O)C[C@H](c2ccccc2)N([C@H](c2ccccc2)C2(CCC2)NC(=O)OC(C)(C)C)N1
• Title of publication: Diastereoselective addition of redox active esters to azomethine imines by electrosynthesis
• Authors of publication: Leleu, Ludovic; Martzel, Thomas; Fall, Arona; Sanselme, Morgane; Levacher, Vincent; Oudeyer, Sylvain; Brière, Jean-François
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.2426 ± 0.0014 Å
• b: 18.554 ± 0.003 Å
• c: 12.2554 ± 0.0017 Å
• α: 90°
• β: 91.745 ± 0.003°
• γ: 90°
• Cell volume: 2328 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No