Information card for entry 2001326

Structure parameters

• Chemical name: exo 3-Acetoxy-2,4-diethoxy-6-(carbonyloxazolidin-2'-on)-3,4-dihydropyrane
• Formula: C15 H21 N O8
• Calculated formula: C15 H21 N O8
• SMILES: O1[C@@H]([C@@H]([C@H](C=C1C(=O)N1C(=O)OCC1)OCC)OC(=O)C)OCC.O1[C@H]([C@H]([C@@H](C=C1C(=O)N1C(=O)OCC1)OCC)OC(=O)C)OCC
• 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: 9.016 ± 0.002 Å
• b: 9.038 ± 0.002 Å
• c: 10.85 ± 0.002 Å
• α: 104.6 ± 0.02°
• β: 91.6 ± 0.02°
• γ: 91.48 ± 0.02°
• Cell volume: 854.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.101
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No