Information card for entry 7130046

Structure parameters

• Formula: C22 H19 N O
• Calculated formula: C22 H19 N O
• Title of publication: The solvent-controlled Rh(iii)-catalyzed switchable [4+2] annulation of 2-arylIndoles with iodonium ylides
• Authors of publication: Nunewar, Saiprasad; Kumar, Sanjeev; Priyanka, Pendam; Girase, Pradeep; Kanchupalli, Vinaykumar
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.624 ± 0.0005 Å
• b: 9.8728 ± 0.0003 Å
• c: 19.5796 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3213.51 ± 0.17 ų
• Cell temperature: 293 ± 14 K
• Ambient diffraction temperature: 293 ± 14 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0241
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No