Information card for entry 7151186

Structure parameters

• Formula: C13 H15 N2 O5 S
• Calculated formula: C6.5 H7.5 N O2.5 S0.5
• 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: 5.6923 ± 0.0007 Å
• b: 15.7807 ± 0.0017 Å
• c: 33.089 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2972.3 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No