Information card for entry 7151568

Structure parameters

• Formula: C17 H25 N O6 S
• Calculated formula: C17 H25 N O6 S
• SMILES: S(=O)(=O)(c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1OC(OC1)(C)C
• Title of publication: Highly diastereoselective addition of nitromethane anion to chiral alpha-amidoalkylphenyl sulfones. Synthesis of optically active alpha-amino acid derivatives.
• Authors of publication: Foresti, Elisabetta; Palmieri, Gianni; Petrini, Marino; Profeta, Roberto
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 23
• Pages of publication: 4275 - 4281
• a: 9.9643 ± 0.0004 Å
• b: 11.133 ± 0.0004 Å
• c: 17.3159 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1920.9 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No