Information card for entry 4132804

Structure parameters

• Formula: C25 H36 N2 O4
• Calculated formula: C25 H36 N2 O4
• SMILES: O(C)c1cc(c(N2CCC[C@H]2[C@H](C(=O)N[C@H](c2ccccc2)CO)C)c(c1)C)C.CO
• Title of publication: C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.
• Authors of publication: Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 33
• Pages of publication: 10593 - 10601
• a: 7.8167 ± 0.0003 Å
• b: 15.1723 ± 0.0005 Å
• c: 20.1325 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2387.66 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No