Information card for entry 7123791

Structure parameters

• Chemical name: methyl 3-ethyl-1-methyl-2-phenyl-1H-indole-5-carboxylate
• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• 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: 8.0634 ± 0.0004 Å
• b: 8.7636 ± 0.0004 Å
• c: 12.0264 ± 0.0006 Å
• α: 74.514 ± 0.002°
• β: 77.384 ± 0.002°
• γ: 72.558 ± 0.002°
• Cell volume: 772.43 ± 0.07 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: 0.1555
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No