Information card for entry 4021910

Structure parameters

• Formula: C20 H22 N2 O3
• Calculated formula: C20 H22 N2 O3
• SMILES: n1(c2C3CC=CC(=O)N3CCc2c2ccccc12)C(=O)OC(C)(C)C
• Title of publication: General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids
• Authors of publication: Alexander Deiters; Martin Pettersson; Stephen F. Martin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6547 - 6561
• a: 12.8635 ± 0.0003 Å
• b: 12.1962 ± 0.0003 Å
• c: 21.3633 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3351.6 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1075
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No