Information card for entry 7156517

Structure parameters

• Formula: C50 H36 N8
• Calculated formula: C50 H36 N8
• Title of publication: Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I₂-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.
• Authors of publication: Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 7806 - 7810
• a: 11.942 ± 0.0008 Å
• b: 12.7737 ± 0.0009 Å
• c: 12.9601 ± 0.0008 Å
• α: 91.778 ± 0.003°
• β: 102.372 ± 0.003°
• γ: 102.443 ± 0.003°
• Cell volume: 1879.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No