Information card for entry 1516525

Structure parameters

• Chemical name: (4R,5S)-1-((R)-3-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)- 3-phenylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
• Formula: C35 H34 N2 O3
• Calculated formula: C35 H34 N2 O3
• SMILES: N1(C(=O)N([C@@H]([C@@H]1c1ccccc1)C)C)C(=O)C[C@H](c1ccccc1)C1(O)c2ccccc2CCc2ccccc12
• 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: 8.284 ± 0.005 Å
• b: 13.944 ± 0.006 Å
• c: 23.978 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2770 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No