Information card for entry 7130047

Structure parameters

• Formula: C21 H17 N O2
• Calculated formula: C21 H17 N O2
• 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: 5.1663 ± 0.0015 Å
• b: 20.19 ± 0.007 Å
• c: 14.945 ± 0.005 Å
• α: 90°
• β: 96.836 ± 0.013°
• γ: 90°
• Cell volume: 1547.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No