Information card for entry 7062685

Structure parameters

• Formula: C18 H19 N O
• Calculated formula: C18 H19 N O
• SMILES: O=C(N(C(=C\C)/c1ccccc1)Cc1ccccc1)C
• Title of publication: Copper- or iron-catalyzed stereoselective methylation of enamides using dicumyl peroxide as the methyl source
• Authors of publication: Zhang, Fukuan; Liu, Haidong; Jia, Xin-Jian; Li, Lin; Liang, Yi; Luo, Xuzhong; Luo, Haiqing
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 17060 - 17065
• a: 9.5009 ± 0.0011 Å
• b: 9.4353 ± 0.0011 Å
• c: 16.3857 ± 0.0017 Å
• α: 90°
• β: 90.365 ± 0.011°
• γ: 90°
• Cell volume: 1468.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No