Information card for entry 1518644

Structure parameters

• Formula: C23 H20 N2 O
• Calculated formula: C23 H20 N2 O
• SMILES: O=C(n1c2c(cc(c3ccccc3)cc2)cc1c1ccccc1)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: 6.345 ± 0.0014 Å
• b: 11.725 ± 0.003 Å
• c: 13.3 ± 0.003 Å
• α: 67.812 ± 0.003°
• β: 80.532 ± 0.003°
• γ: 84.005 ± 0.003°
• Cell volume: 902.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No