Information card for entry 4034855

Structure parameters

• Formula: C23 H20 N2 O3
• Calculated formula: C23 H20 N2 O3
• SMILES: N1(C(=CC(=O)[C@@H]([C@H]1c1occc1)C(=O)Nc1ccccc1)C)c1ccccc1.N1(C(=CC(=O)[C@H]([C@@H]1c1occc1)C(=O)Nc1ccccc1)C)c1ccccc1
• Title of publication: Synthesis of Multifunctionalized 2,3-Dihydro-4-pyridones and 4-Pyridones via the Reaction of Carbamoylated Enaminones with Aldehydes.
• Authors of publication: Obydennov, Dmitrii L.; El-Tantawy, Asmaa I; Sosnovskikh, Vyacheslav Y.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 22
• Pages of publication: 13776 - 13786
• a: 9.4912 ± 0.0008 Å
• b: 9.683 ± 0.0007 Å
• c: 11.2408 ± 0.001 Å
• α: 83.928 ± 0.006°
• β: 81.695 ± 0.007°
• γ: 69.792 ± 0.007°
• Cell volume: 957.57 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1137
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No