Information card for entry 1543990

Structure parameters

• Formula: C19 H22 Br N O2
• Calculated formula: C19 H22 Br N O2
• SMILES: Brc1ccc(C(=O)C(c2c(ccc(c2)OC)N(C)C)(C)C)cc1
• Title of publication: Intermolecular C-H Quaternary Alkylation of Aniline Derivatives Induced by Visible-Light Photoredox Catalysis.
• Authors of publication: Cheng, Jie; Deng, Xia; Wang, Guoqiang; Li, Ying; Cheng, Xu; Li, Guigen
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4538 - 4541
• a: 18.966 ± 0.004 Å
• b: 12.681 ± 0.002 Å
• c: 16.462 ± 0.003 Å
• α: 90°
• β: 116.614 ± 0.003°
• γ: 90°
• Cell volume: 3539.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No