Information card for entry 7150449

Structure parameters

• Formula: C27 H32 N2 O4 S
• Calculated formula: C27 H32 N2 O4 S
• SMILES: S1(=O)(=O)N([C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C1)C(=O)[C@@H](C=NOCc1ccccc1)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: 11.1034 ± 0.0011 Å
• b: 11.9818 ± 0.0014 Å
• c: 9.9624 ± 0.0012 Å
• α: 90°
• β: 109.214 ± 0.008°
• γ: 90°
• Cell volume: 1251.6 ± 0.3 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: 0.0377
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No