Information card for entry 2013256

Structure parameters

• Chemical name: (4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one
• Formula: C18 H35 N O4
• Calculated formula: C18 H35 N O4
• SMILES: N1C(=O)O[C@H]([C@H]1[C@@H](O)CO)CCCCCCCCCCCCC
• Title of publication: (4<i>S</i>,5<i>S</i>)-4-[(1<i>R</i>)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one
• Authors of publication: Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Bolte, Michael; Kolter, Thomas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o225 - o227
• a: 5.404 ± 0.0002 Å
• b: 7.6062 ± 0.0004 Å
• c: 22.1898 ± 0.0011 Å
• α: 90°
• β: 94.208 ± 0.003°
• γ: 90°
• Cell volume: 909.63 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes