Information card for entry 4026153

Structure parameters

• Chemical name: (R)-5-(N-tert-Butoxycarbonyl)-[(S)-(2-methoxyphenylamino)- (phenyl)methyl]-1H-pirrol-2(5H)one
• Formula: C23 H26 N2 O4
• Calculated formula: C23 H26 N2 O4
• SMILES: C1(=O)C=C[C@@H]([C@@H](c2ccccc2)Nc2ccccc2OC)N1C(=O)OC(C)(C)C.C1(=O)C=C[C@H]([C@H](c2ccccc2)Nc2ccccc2OC)N1C(=O)OC(C)(C)C
• Title of publication: anti-Selective, Catalytic Asymmetric Vinylogous Mukaiyama Mannich Reactions of Pyrrole-Based Silyl Dienolates with N-Aryl Aldimines
• Authors of publication: Claudio Curti; Lucia Battistini; Beatrice Ranieri; Giorgio Pelosi; Gloria Rassu; Giovanni Casiraghi; Franca Zanardi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 2248 - 2252
• a: 12.7109 ± 0.0007 Å
• b: 17.8216 ± 0.001 Å
• c: 19.5965 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4439.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No