Information card for entry 7132957

Structure parameters

• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• SMILES: O1c2ccccc2C(=O)C(=C1)Cc1ccc(N(C)C)cc1
• Title of publication: Electrochemical-induced solvent-tuned selective C(sp³)-H bond activation towards the synthesis of C3-functionalized chromone derivatives.
• Authors of publication: Gao, Ying; Wang, Mingxu; Sun, Jingxian; Zhao, Xiao-Jing; He, Yonghui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 38
• Pages of publication: 5050 - 5053
• a: 6.3783 ± 0.0002 Å
• b: 7.1006 ± 0.0003 Å
• c: 31.5404 ± 0.0012 Å
• α: 90°
• β: 93.88 ± 0.002°
• γ: 90°
• Cell volume: 1425.18 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No