Information card for entry 7218829

Structure parameters

• Chemical name: 2-(1-(1H-Indol-3-yl)ethyl)phenol
• Formula: C16 H16 N O1.5
• Calculated formula: C16 H16 N O1.5
• SMILES: c1c(c2c(cccc2)[nH]1)[C@@H](c1c(cccc1)O)C.O
• Title of publication: Brønsted Acid-Catalyzed Hydroarylation of Activated Olefins
• Authors of publication: Fleischer, Ivana; Pospech, Jola
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 18.2584 ± 0.0003 Å
• b: 5.6362 ± 0.0001 Å
• c: 12.3333 ± 0.0002 Å
• α: 90°
• β: 95.487 ± 0.001°
• γ: 90°
• Cell volume: 1263.38 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No