Information card for entry 7239715

Structure parameters

• Formula: C19 H16 F3 N O2
• Calculated formula: C19 H16 F3 N O2
• Title of publication: Catalyst-free, direct electrochemical synthesis of annulated medium-sized lactams through C‒C bond cleavage
• Authors of publication: Xu, Zhongnan; Huang, Zhixing; Li, Yueheng; Kuniyil, Rositha; Zhang, Chao; Ackermann, Lutz; Ruan, Zhixiong
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 1099 - 1104
• a: 15.4973 ± 0.0003 Å
• b: 10.5001 ± 0.0002 Å
• c: 9.92584 ± 0.00018 Å
• α: 90°
• β: 90.3156 ± 0.0016°
• γ: 90°
• Cell volume: 1615.14 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No