Information card for entry 4101899

Structure parameters

• Formula: C20 H17 N O4
• Calculated formula: C20 H17 N O4
• SMILES: O=C(OC)C(=Cc1c2ccccc2[nH]c1c1ccccc1)C(=O)OC
• Title of publication: Domino Process in Silver-Catalyzed Reactions of N-Arylformimidates and Active Methylene Compounds Involving Cycloisomerization and 1,3-Alkenyl Shift
• Authors of publication: Chang Ho Oh; Swastik Karmakar; HyoSeung Park; YoungCheon Ahn; Jung Wook Kim
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1792 - 1793
• a: 9.1227 ± 0.0011 Å
• b: 18.873 ± 0.002 Å
• c: 20.343 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3502.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No