Information card for entry 4108756

Structure parameters

• Formula: C32 H34 N2 O5 S
• Calculated formula: C32 H34 N2 O5 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N[C@H](c1ccccc1)[C@@](c1ccccc1)(C(=O)OC)N(CC)c1ccc(cc1)OC.c1(ccc(cc1)C)S(=O)(=O)N[C@@H](c1ccccc1)[C@](c1ccccc1)(C(=O)OC)N(CC)c1ccc(cc1)OC
• Title of publication: Three Component Coupling of α-Iminoesters via Umpolung Addition of Organometals: Synthesis of α,α-Disubstituted α-Amino Acids
• Authors of publication: Joshua S. Dickstein; Michael W. Fennie; Amber L. Norman; Betty J. Paulose; Marisa C. Kozlowski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15794 - 15795
• a: 11.9729 ± 0.0016 Å
• b: 12.259 ± 0.002 Å
• c: 12.508 ± 0.002 Å
• α: 115.616 ± 0.008°
• β: 94.121 ± 0.009°
• γ: 103.653 ± 0.008°
• Cell volume: 1576.6 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No