Information card for entry 7132740

Structure parameters

• Formula: C19 H20 N2 O
• Calculated formula: C19 H20 N2 O
• Title of publication: Palladium-catalyzed ligand-regulated divergent synthesis of pyrrole[2,3-<i>b</i>]indoles and ureas from 2-ethynylanilines and isocyanides.
• Authors of publication: Zhang, Min; Zheng, Yongpeng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 21
• Pages of publication: 2950 - 2953
• a: 8.637 ± 0.003 Å
• b: 13.293 ± 0.004 Å
• c: 29.631 ± 0.008 Å
• α: 90°
• β: 96.679 ± 0.009°
• γ: 90°
• Cell volume: 3378.9 ± 1.8 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No