Information card for entry 7217611

Structure parameters

• Formula: C20 H19 N
• Calculated formula: C20 H19 N
• SMILES: c12ccccc1CCC=C2c1c(C)n(c2c1cccc2)C
• Title of publication: Brønsted acid ionic liquid catalyzed facile synthesis of 3-vinylindoles through direct C3 alkenylation of indoles with simple ketones
• Authors of publication: Taheri, Amir; Liu, Changhui; Lai, Bingbing; Cheng, Cheng; Pan, Xiaojuan; Gu, Yanlong
• Journal of publication: Green Chemistry
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 3715
• a: 7.859 ± 0.004 Å
• b: 7.981 ± 0.004 Å
• c: 23.406 ± 0.012 Å
• α: 90°
• β: 92.401 ± 0.009°
• γ: 90°
• Cell volume: 1466.8 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1756
• Residual factor for significantly intense reflections: 0.1541
• Weighted residual factors for significantly intense reflections: 0.498
• Weighted residual factors for all reflections included in the refinement: 0.5295
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216185
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No