Information card for entry 4036845

Structure parameters

• Chemical name: 2-(5,5-bis(4-methoxyphenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide
• Formula: C21 H24 N2 O5
• Calculated formula: C21 H24 N2 O5
• SMILES: O1C(=O)N(C)C(CC(=O)NC)C1(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.
• Authors of publication: Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 12
• Pages of publication: 5101 - 5119
• a: 19.517 ± 0.012 Å
• b: 8.28 ± 0.005 Å
• c: 27.462 ± 0.016 Å
• α: 90°
• β: 99.85 ± 0.03°
• γ: 90°
• Cell volume: 4372 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1466
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2723
• Weighted residual factors for all reflections included in the refinement: 0.3028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No