Information card for entry 4112684

Structure parameters

• Formula: C18 H20 N O
• Calculated formula: C18 H20 N O
• SMILES: O=C1[C@@H](c2c3ccccc3[nH]c2)[C@@H](CC=C1C)C(=C)C
• Title of publication: Direct Coupling of Indoles with Carbonyl Compounds: Short, Enantioselective, Gram-Scale Synthetic Entry into the Hapalindole and Fischerindole Alkaloid Families
• Authors of publication: Phil S. Baran; Jeremy M. Richter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 7450 - 7451
• a: 10.397 ± 0.001 Å
• b: 10.6917 ± 0.001 Å
• c: 13.8862 ± 0.0013 Å
• α: 81.785 ± 0.002°
• β: 78.731 ± 0.002°
• γ: 88.759 ± 0.002°
• Cell volume: 1498.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No