Information card for entry 7150450

Structure parameters

• Formula: C29 H38 N2 O4 S
• Calculated formula: C29 H38 N2 O4 S
• SMILES: S1(=O)(=O)N([C@H]2[C@@]3(CC[C@H](C2)C3(C)C)C1)C(=O)[C@@H]([C@@H](NOCc1ccccc1)CC)Cc1ccccc1
• Title of publication: Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives
• Authors of publication: Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 381
• a: 12.2395 ± 0.0015 Å
• b: 20.5642 ± 0.0014 Å
• c: 10.904 ± 0.0016 Å
• α: 90°
• β: 94.209 ± 0.011°
• γ: 90°
• Cell volume: 2737.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No