Information card for entry 1567188

Structure parameters

• Formula: C28 H25 N3 O3
• Calculated formula: C28 H25 N3 O3
• Title of publication: Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.
• Authors of publication: Wang, Yue; Li, Er-Qing; Duan, Zheng
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 27
• Pages of publication: 8131 - 8136
• a: 12.6477 ± 0.0006 Å
• b: 12.7165 ± 0.0003 Å
• c: 19.2801 ± 0.001 Å
• α: 90°
• β: 130.968 ± 0.008°
• γ: 90°
• Cell volume: 2341.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0584
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No