Information card for entry 2003659

Structure parameters

• Chemical name: (2S,4R,5R)-(-)-3 Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide
• Formula: C12 H17 N O2 S
• Calculated formula: C12 H17 N O2 S
• Title of publication: (2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide
• Authors of publication: Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1372 - 1374
• a: 7.136 ± 0.001 Å
• b: 7.221 ± 0.001 Å
• c: 24.405 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1257.6 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.54
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No