Information card for entry 7123788

Structure parameters

• Chemical name: 4-fluoro-1-methyl-2,3-diphenyl-1H-indole
• Formula: C21 H16 F N
• Calculated formula: C21 H16 F N
• Title of publication: Rhodium(III)-Catalyzed Indole Synthesis at Room Temperature Using the Transient Oxidizing Directing Group Strategy
• Authors of publication: Shang, Yaping; Jonnada, Krishna; Yedage, Subhash L.; Tu, Hua; Zhang, Xiaofeng; Lou, Xin; Huang, Shijun; Su, Weiping
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.8096 ± 0.0005 Å
• b: 9.0152 ± 0.0005 Å
• c: 10.3747 ± 0.0006 Å
• α: 74.507 ± 0.003°
• β: 77.133 ± 0.003°
• γ: 80.906 ± 0.003°
• Cell volume: 769.81 ± 0.08 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No