Information card for entry 2200693

Structure parameters

• Chemical name: (2S)-1-(4-fluorophenyl)-2-hydroxy-2-[(2S,5R)-5-(1-hydroxy-1-methylethyl)- tetrahydrofuran-2-yl]ethanone
• Formula: C15 H19 F O4
• Calculated formula: C15 H19 F O4
• SMILES: Fc1ccc(C(=O)[C@@H](O)[C@@H]2O[C@H](C(O)(C)C)CC2)cc1.Fc1ccc(C(=O)[C@H](O)[C@H]2O[C@@H](C(O)(C)C)CC2)cc1
• Title of publication: (2<i>S</i>)-1-(4-Fluorophenyl)-2-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone
• Authors of publication: Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1196 - o1197
• a: 10.973 ± 0.002 Å
• b: 12.764 ± 0.003 Å
• c: 20.721 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2902.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes