Information card for entry 1516526

Structure parameters

• Chemical name: (4R,5S)-1-((S)-4-hydroxy-3-methyl-4,4-diphenylbutanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
• Formula: C28 H30 N2 O3
• Calculated formula: C28 H30 N2 O3
• SMILES: N1(C(=O)N([C@@H]([C@@H]1c1ccccc1)C)C)C(=O)C[C@H](C)C(O)(c1ccccc1)c1ccccc1
• Title of publication: Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.
• Authors of publication: Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3348 - 3351
• a: 6.63 ± 0.018 Å
• b: 8.27 ± 0.02 Å
• c: 22.07 ± 0.1 Å
• α: 89.6 ± 0.3°
• β: 87.7 ± 0.3°
• γ: 80 ± 0.2°
• Cell volume: 1191 ± 7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No