Information card for entry 2218413

Structure parameters

• Chemical name: (1<i>R</i>,4'<i>S</i>)-4-(<i>tert</i>-Butyldimethylsilanoxy)- 1-[2,2-dimethyl-3-(p-tolylsulfonyl)-1,3-oxazolidin-4-yl]but-2-yn-1-ol
• Formula: C22 H35 N O5 S Si
• Calculated formula: C22 H35 N O5 S Si
• SMILES: S(=O)(=O)(N1C(OC[C@H]1[C@H](O)C#CCO[Si](C(C)(C)C)(C)C)(C)C)c1ccc(cc1)C
• Title of publication: (1<i>R</i>,4'<i>S</i>)-4-(<i>tert</i>-Butyldimethylsilanoxy)-1-[2,2-dimethyl-3-(<i>p</i>-tolylsulfonyl)-1,3-oxazolidin-4-yl]but-2-yn-1-ol
• Authors of publication: Erdsack, Jörg; Schürmann, Markus; Preut, Hans; Krause, Norbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1171
• a: 26.283 ± 0.005 Å
• b: 11.335 ± 0.002 Å
• c: 19.219 ± 0.004 Å
• α: 90°
• β: 121.4 ± 0.03°
• γ: 90°
• Cell volume: 4887 ± 2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes