Information card for entry 7219946

Structure parameters

• Formula: C26 H35 N O6 S
• Calculated formula: C26 H35 N O6 S
• SMILES: S1(=O)(=O)[C@H]2[C@@H](N(C(C)C)CC1)[C@H](O[C@@H]([C@H]2OCc1ccccc1)COCc1ccccc1)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: 29.038 ± 0.006 Å
• b: 5.6706 ± 0.0012 Å
• c: 19.411 ± 0.004 Å
• α: 90°
• β: 123.093 ± 0.006°
• γ: 90°
• Cell volume: 2677.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2378
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No