Information card for entry 7151100

Structure parameters

• Formula: C38 H43 N O4
• Calculated formula: C38 H43 N O4
• SMILES: O(C(=O)[C@@H]([C@@H](c1ccccc1)CC(=O)OC)[C@@H](N([C@H](c1ccccc1)C)Cc1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Asymmetric three- and [2 + 1]-component conjugate addition reactions for the stereoselective synthesis of polysubstituted piperidinones.
• Authors of publication: Davies, Stephen G.; Roberts, Paul M.; Smith, Andrew D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1405 - 1415
• a: 11.264 ± 0.0002 Å
• b: 16.634 ± 0.0003 Å
• c: 17.048 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3194.2 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0253
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9146
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No