Information card for entry 7102587

Structure parameters

• Common name: oso2
• Chemical name: oso2
• Formula: C7 H11 N O7 S
• Calculated formula: C7 H11 N O7 S
• SMILES: S1(=O)(=O)N(C[C@@](O1)(C(=O)OC)C)C(=O)OC
• Title of publication: SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure beta2,2-amino acids.
• Authors of publication: Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Jiménez-Osés, Gonzalo; Peregrina, Jesús M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 980 - 981
• a: 8.2367 ± 0.0003 Å
• b: 8.9543 ± 0.0004 Å
• c: 14.8873 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1098 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1139
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No