Information card for entry 7153603

Structure parameters

• Common name: Indoles
• Formula: C16 H12 F3 N
• Calculated formula: C16 H12 F3 N
• SMILES: c12c(cc(Cc3ccc(C(F)(F)F)cc3)[nH]2)cccc1
• Title of publication: Facile synthesis of 2-arylmethylindoles and 2-vinylic indoles through palladium-catalyzed heteroannulations of 2-(2-propynyl)aniline and 2-(2-propynyl)tosylanilide.
• Authors of publication: Das, Bimolendu; Kundu, Priyanka; Chowdhury, Chinmay
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 741 - 748
• a: 9.5871 ± 0.0016 Å
• b: 10.4916 ± 0.0018 Å
• c: 14.112 ± 0.002 Å
• α: 93.549 ± 0.009°
• β: 109.31 ± 0.009°
• γ: 95.346 ± 0.01°
• Cell volume: 1327.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No