Information card for entry 2008164

Structure parameters

• Chemical name: [2S,2(1R),4R]-2-[1-(3-ethoxy-3-oxo)-1-hydroxy-1-phenylpropyl]-2-ethyl- 3-tosyl-4-phenyl-1,3-oxazolidine
• Formula: C29 H33 N O6 S
• Calculated formula: C29 H33 N O6 S
• SMILES: O1[C@]([C@@](c2ccccc2)(O)CC(=O)OCC)(CC)N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1
• Title of publication: Three 3-arylsulfonyl-1,3-oxazolidines
• Authors of publication: Bolte, Michael; Monz, Sabine; Wagner, Kerstin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 222 - 226
• a: 8.901 ± 0.001 Å
• b: 11.935 ± 0.002 Å
• c: 25.898 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2751.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes