Information card for entry 7158510

Structure parameters

• Formula: C24 H21 N O2
• Calculated formula: C24 H21 N O2
• SMILES: O=C(/C=C(\NC(=O)c1c(cccc1)C)c1ccccc1)c1c(cccc1)C
• Title of publication: CuCl₂·2H₂O/TBHP mediated synthesis of β-enaminones <i>via</i> coupling reaction of vinyl azides with aldehydes.
• Authors of publication: Zhang, Yaohong; Luo, Mengqiang; Zhang, Yichan; Cheng, Kai; Li, Yong; Qi, Chenze; Shen, Runpu; Wang, Hai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1952 - 1957
• a: 9.8259 ± 0.0003 Å
• b: 9.8256 ± 0.0002 Å
• c: 10.8672 ± 0.0003 Å
• α: 97.864 ± 0.002°
• β: 108.797 ± 0.002°
• γ: 103.162 ± 0.002°
• Cell volume: 941.65 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No