Information card for entry 4123302

Structure parameters

• Formula: C26 H33 N O3
• Calculated formula: C26 H33 N O3
• SMILES: [C@@H](C(=O)N[C@@H](C)c1ccccc1)(c1ccccc1)[C@H](C1CCCCC1)CC(=O)OC
• Title of publication: Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.
• Authors of publication: Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 2
• Pages of publication: 656 - 659
• a: 12.418 ± 0.003 Å
• b: 12.418 ± 0.003 Å
• c: 25.856 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3453 ± 1.4 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No