Information card for entry 4131825

Structure parameters

• Formula: C23 H22 F N O4
• Calculated formula: C23 H22 F N O4
• SMILES: Fc1ccc([C@H](NC(=O)OCc2ccccc2)[C@@]23OC(=O)C=C2CCCC3)cc1
• Title of publication: Zn-ProPhenol Catalyzed Enantio- and Diastereoselective Direct Vinylogous Mannich Reactions between α,β- and β,γ-Butenolides and Aldimines.
• Authors of publication: Trost, Barry M.; Gnanamani, Elumalai; Tracy, Jacob S.; Kalnmals, Christopher A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 50
• Pages of publication: 18198 - 18201
• a: 7.0224 ± 0.0002 Å
• b: 11.4699 ± 0.0004 Å
• c: 24.6868 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1988.43 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0258
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No