Information card for entry 7249223

Structure parameters

• Formula: C13 H12 F3 N O
• Calculated formula: C13 H12 F3 N O
• Title of publication: Radical cascade synthesis of γ-amino acids or γ-lactams via carboxyl-mediated intramolecular C–H amination
• Authors of publication: Huang, Tao; Liu, Can; Yuan, Pan-Feng; Wang, Tao; Yang, Biao; Ma, Yao; Liu, Qiang
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 9859 - 9868
• a: 10.6674 ± 0.0005 Å
• b: 10.095 ± 0.0004 Å
• c: 11.8549 ± 0.0006 Å
• α: 90°
• β: 115.445 ± 0.006°
• γ: 90°
• Cell volume: 1152.79 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No