Information card for entry 7217610

Structure parameters

• Formula: C23 H19 N
• Calculated formula: C23 H19 N
• SMILES: c1(c(c2ccccc2n1C)C(=C)c1ccccc1)c1ccccc1
• 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: 9.2869 ± 0.0019 Å
• b: 9.636 ± 0.002 Å
• c: 11.202 ± 0.002 Å
• α: 84.187 ± 0.003°
• β: 72.065 ± 0.003°
• γ: 64.104 ± 0.003°
• Cell volume: 857.3 ± 0.3 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: 0.0436
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216184
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No