Information card for entry 4038316

Structure parameters

• Formula: C17 H16 F N O
• Calculated formula: C17 H16 F N O
• Title of publication: One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.
• Authors of publication: Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.892 ± 0.003 Å
• b: 10.123 ± 0.003 Å
• c: 15.21 ± 0.005 Å
• α: 90°
• β: 94.753 ± 0.004°
• γ: 90°
• Cell volume: 1364.4 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.0469
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No