Information card for entry 7154050

Structure parameters

• Common name: Hydroxy Pyrrolidine
• Formula: C21 H31 N O7 S
• Calculated formula: C21 H31 N O7 S
• SMILES: S(=O)(=O)(N1[C@H]([C@H]2OC(O[C@@H]2[C@@H]2OC(OC2)(C)C)(C)C)[C@H](O)CC1)c1ccc(cc1)C
• Title of publication: Divergent total synthesis of 1,6,8a-tri-epi-castanospermine and 1-deoxy-6,8a-di-epi-castanospermine from substituted azetidin-2-one (β-lactam), involving a cascade sequence of reactions as a key step.
• Authors of publication: Tiwari, Dipak Kumar; Bharadwaj, Kishor Chandra; Puranik, Vedavati G.; Tiwari, Dharmendra Kumar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 7389 - 7396
• a: 6.7501 ± 0.0005 Å
• b: 17.4344 ± 0.0013 Å
• c: 19.5104 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2296.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7153974
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No