Information card for entry 7219944

Structure parameters

• Formula: C9 H16 O7 S
• Calculated formula: C10.2857 H18.2857 O8 S1.14286
• SMILES: S1(=O)(=O)[C@@H]2[C@H](OCC1)[C@H](O[C@@H]([C@H]2O)CO)OC
• Title of publication: 1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization
• Authors of publication: Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 35
• Pages of publication: 27706
• a: 9.543 ± 0.002 Å
• b: 9.544 ± 0.002 Å
• c: 25.269 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2301.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1163
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No