Information card for entry 4103749

Structure parameters

• Formula: C20 H19 Cl N2 O5
• Calculated formula: C20 H19 Cl N2 O5
• SMILES: Clc1ccc([C@@]([C@@H]2OC(=O)C=C2)(Nc2ccc(cc2OC)N)C(=O)OC)cc1
• Title of publication: Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism
• Authors of publication: Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 570 - 576
• a: 8.8375 ± 0.0016 Å
• b: 11.63 ± 0.002 Å
• c: 18.584 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1910.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1139
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No