Information card for entry 4103747

Structure parameters

• Formula: C16 H14 N2 O5
• Calculated formula: C16 H14 N2 O5
• SMILES: O(C(=O)/C(=N\c1ccc(N(=O)=O)cc1OC)c1ccccc1)C
• 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: 8.595 ± 0.002 Å
• b: 9.799 ± 0.003 Å
• c: 10.014 ± 0.003 Å
• α: 71.928 ± 0.005°
• β: 85.027 ± 0.005°
• γ: 68.533 ± 0.005°
• Cell volume: 745.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No