Information card for entry 7151185

Structure parameters

• Common name: (2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4- hydroxypyrrolidine
• Chemical name: (2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4-hydroxypyrrolidine
• Formula: C12 H16 N4 O4 S
• Calculated formula: C12 H16 N4 O4 S
• SMILES: S(=O)(=O)(N1[C@@H]([C@@H](N=N#N)[C@H](O)C1)CO)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: 7.539 ± 0.004 Å
• b: 17.643 ± 0.009 Å
• c: 11.223 ± 0.005 Å
• α: 90°
• β: 100.446 ± 0.008°
• γ: 90°
• Cell volume: 1468 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No