Information card for entry 7123588

Structure parameters

• Formula: C20 H14 Cl N O
• Calculated formula: C20 H14 Cl N O
• Title of publication: Enantioselective reduction of azaarene-based ketones via visible light-driven photoredox asymmetric catalysis
• Authors of publication: Qiao, Baokun; Li, Chunyang; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.15285 ± 0.00017 Å
• b: 11.3914 ± 0.0005 Å
• c: 26.4345 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1551.66 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No