Information card for entry 7156518

Structure parameters

• Formula: C25 H17 Br N4
• Calculated formula: C25 H17 Br N4
• 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: 7.7966 ± 0.0006 Å
• b: 14.3031 ± 0.0012 Å
• c: 18.1018 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2018.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0668
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No