Information card for entry 4126082

Structure parameters

• Formula: C17 H11 N O2
• Calculated formula: C17 H11 N O2
• Title of publication: Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.
• Authors of publication: Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 4.8941 ± 0.0012 Å
• b: 11.54 ± 0.003 Å
• c: 11.594 ± 0.003 Å
• α: 70.969 ± 0.002°
• β: 85.557 ± 0.003°
• γ: 80.892 ± 0.003°
• Cell volume: 611 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No