Information card for entry 7157303

Structure parameters

• Formula: C25 H21 N3
• Calculated formula: C25 H21 N3
• Title of publication: Synthesis of 2-arylamino-3-cyanoquinolines via a cascade reaction through a nitrilium intermediate.
• Authors of publication: Ramanathan, Mani; Wan, Jing; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 975 - 982
• a: 11.6501 ± 0.0004 Å
• b: 10.813 ± 0.0003 Å
• c: 16.4196 ± 0.0005 Å
• α: 90°
• β: 106.886 ± 0.004°
• γ: 90°
• Cell volume: 1979.24 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0825
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No