Information card for entry 4032728

Structure parameters

• Formula: C20 H18 N2 O
• Calculated formula: C20 H18 N2 O
• SMILES: O=C1Nc2c(C1(c1c3c([nH]c1)cccc3)CC(=C)C)cccc2
• Title of publication: FeCl3-Catalyzed Allylation Reactions onto 3-Hydroxy-2-oxindoles: Formal Total Syntheses of Bis-cyclotryptamine Alkaloids, (±)-Chimonanthine, and (±)-Folicanthine.
• Authors of publication: Kinthada, Lakshmana K.; Medisetty, Sai Raghavendra; Parida, Amarchand; Babu, K. Naresh; Bisai, Alakesh
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 16
• Pages of publication: 8548 - 8567
• a: 8.0603 ± 0.0011 Å
• b: 18.448 ± 0.003 Å
• c: 10.7581 ± 0.0015 Å
• α: 90°
• β: 95.777 ± 0.002°
• γ: 90°
• Cell volume: 1591.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No