Information card for entry 1553817

Structure parameters

• Formula: C20 H16 F3 N O3 S
• Calculated formula: C20 H15 F3 N O3 S
• Title of publication: TBAF catalyzed one-pot synthesis of allenyl-indoles
• Authors of publication: De Nisi, A.; Sierra, S.; Ferrara, M.; Monari, M.; Bandini, M.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1849
• a: 8.5679 ± 0.0012 Å
• b: 12.3701 ± 0.0014 Å
• c: 18.181 ± 0.003 Å
• α: 83.843 ± 0.007°
• β: 89.595 ± 0.012°
• γ: 80.871 ± 0.009°
• Cell volume: 1891.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2446
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No