Information card for entry 7219945

Structure parameters

• Formula: C20 H29 N O6 S
• Calculated formula: C20 H29 N O6 S
• SMILES: C(CCC)N1CCS(=O)(=O)[C@@H]2[C@H]1[C@H](OC)O[C@H]1[C@H]2O[C@H](c2ccccc2)OC1
• 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: 8.0439 ± 0.0007 Å
• b: 9.9065 ± 0.0009 Å
• c: 12.9817 ± 0.0012 Å
• α: 89.535 ± 0.003°
• β: 90.022 ± 0.003°
• γ: 89.979 ± 0.003°
• Cell volume: 1034.44 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No