Information card for entry 7151182

Structure parameters

• Common name: (2R,3R,4S)-1-(Toluene-4-sulfonyl)-2-(carbamoyloxymethyl) -3,4- epoxypyrrolidine
• Chemical name: (2R,3R,4S)-1-(Toluene-4-sulfonyl)-2-(carbamoyloxymethyl) -3,4-epoxypyrrolidine
• Formula: C13 H16 N2 O5 S
• Calculated formula: C13 H16 N2 O5 S
• SMILES: S(=O)(=O)(N1C[C@@H]2O[C@@H]2[C@H]1COC(=O)N)c1ccc(cc1)C
• Title of publication: Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.
• Authors of publication: Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3544 - 3553
• a: 7.7577 ± 0.0008 Å
• b: 17.7377 ± 0.0019 Å
• c: 20.872 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2872.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No