Information card for entry 2208057

Structure parameters

• Chemical name: (3aR,5S,7S,7aS)-5-{[tert-Butyl(dimethyl)silyloxy]methyl}-7-ethoxy-3-methyl- 7,7a-dihydro-3aH-pyrano[4,3-d]isoxazol-4(5H)-one
• Formula: C16 H29 N O5 Si
• Calculated formula: C16 H29 N O5 Si
• SMILES: CCO[C@@H]1[C@@H]2[C@H](C(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1)C(=NO2)C
• Title of publication: (3a<i>R</i>,5<i>R</i>,7<i>S</i>,7a<i>S</i>)-5-[(<i>tert</i>-Butyldimethylsilyloxy)methyl]-7-ethoxy-3-methyl-7,7a-dihydro-3a<i>H</i>-pyrano[4,3-<i>d</i>]isoxazol-4(5<i>H</i>)-one
• Authors of publication: Cottier, Louis; Srivastava, Rajendra M.; Sinou, Denis; Freitas Filho, Joao R.; Jeanneau, Erwann
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o540 - o541
• a: 7.366 ± 0.005 Å
• b: 11.372 ± 0.005 Å
• c: 23.02 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1928.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0566
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes