Information card for entry 2001325

Structure parameters

• Chemical name: endo 3-Acetoxy-2,4-diethoxy-6-(carbonyloxazolidin-2'-on)-3,4-dihydropyrane
• Formula: C16 H23.5 N O3.5
• Calculated formula: C17 H26 N O8.5
• Title of publication: Structures of <i>endo</i>- and <i>exo</i>-3-acetoxy-2,4-diethoxy-6-(2-oxo-1,3-oxazolidin-3-ylcarbonyl)-3,4-dihydro-2<i>H</i>-pyran
• Authors of publication: Pohl, E.; Herbst-Irmer, R.; Noltemeyer, M.; Schneider, C.; Tietze, L. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1850 - 1852
• a: 8.078 ± 0.002 Å
• b: 19.274 ± 0.005 Å
• c: 12.686 ± 0.003 Å
• α: 90°
• β: 102.85 ± 0.02°
• γ: 90°
• Cell volume: 1925.7 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1326
• Weighted residual factors for significantly intense reflections: 0.1195
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No