Information card for entry 4033667

Structure parameters

• Formula: C18 H18 F N O
• Calculated formula: C18 H18 F N O
• SMILES: Fc1cccc(C(=O)CC2N(CCC2)c2ccccc2)c1
• Title of publication: Visible Light Photoredox-Catalyzed α-Alkylation of Cyclic Tertiary Arylamines.
• Authors of publication: Xu, Ji-Tao; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 9.0638 ± 0.0003 Å
• b: 5.6389 ± 0.0002 Å
• c: 28.344 ± 0.0008 Å
• α: 90°
• β: 91.615 ± 0.001°
• γ: 90°
• Cell volume: 1448.08 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0489
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No