Information card for entry 4025493

Structure parameters

• Formula: C36 H51 N O6
• Calculated formula: C36 H51 N O6
• SMILES: O([C@H]1[C@@]2(CC[C@H](C1)C2(C)C)CN[C@H](c1ccccc1)[C@H](C(=O)OC(C)(C)C)[C@@H](OC(=O)OC(C)(C)C)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: 29.1468 ± 0.0005 Å
• b: 8.29097 ± 0.00015 Å
• c: 15.9705 ± 0.0003 Å
• α: 90°
• β: 111.328 ± 0.0007°
• γ: 90°
• Cell volume: 3595.05 ± 0.11 ų
• Cell temperature: 299.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No