Information card for entry 1518643

Structure parameters

• Formula: C21 H18 N2 O
• Calculated formula: C21 H18 N2 O
• SMILES: O=C(n1c(cc2c1c1c(cc2)cccc1)c1ccccc1)N(C)C
• Title of publication: Merging C-h activation and alkene difunctionalization at room temperature: a palladium-catalyzed divergent synthesis of indoles and indolines.
• Authors of publication: Manna, Manash Kumar; Hossian, Asik; Jana, Ranjan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 672 - 675
• a: 8.964 ± 0.004 Å
• b: 12.046 ± 0.004 Å
• c: 16.315 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No