Information card for entry 4025491

Structure parameters

• Formula: C35 H51 N O4
• Calculated formula: C35 H51 N O4
• SMILES: O([C@H]1[C@@]2(CC[C@H](C1)C2(C)C)CN(Cc1ccccc1)[C@H](C(C)C)[C@H](C(=O)OC(C)(C)C)[C@@H](O)c1ccccc1)C
• Title of publication: One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine
• Authors of publication: Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4201 - 4211
• a: 9.34192 ± 0.00018 Å
• b: 18.5967 ± 0.0004 Å
• c: 19.3112 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3354.91 ± 0.12 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No