Information card for entry 4129848

Structure parameters

• Formula: C19 H25 N O4
• Calculated formula: C19 H25 N O4
• SMILES: O1C(=O)N([C@H](C1)Cc1ccccc1)C(=O)[C@@H](C1(O)CCCCC1)C
• Title of publication: Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.
• Authors of publication: Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 1
• Pages of publication: 345 - 355
• a: 5.7701 ± 0.0006 Å
• b: 13.3976 ± 0.0012 Å
• c: 22.752 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1758.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No