Information card for entry 2009389

Structure parameters

• Formula: C15 H22 F N O4 S
• Calculated formula: C15 H22 F N O4 S
• SMILES: S(=O)(=O)(NC(C)(C)C)c1c(cccc1)[C@H](OC(=O)C)[C@H](F)C.S(=O)(=O)(NC(C)(C)C)c1c(cccc1)[C@@H](OC(=O)C)[C@@H](F)C
• Title of publication: Structure of 2-(1-acetoxy-2-fluoropropyl)-<i>N</i>-<i>tert</i>-butylbenzenesulfonamide
• Authors of publication: Kim, M.-J.; Lee, Y.-B.; Kim, D.-W.; Lim, S.-S.; Lee, J.-H.; Ryu, B.-Y.; Suh, I.-H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 103 - 106
• a: 13.693 ± 0.006 Å
• b: 14.731 ± 0.015 Å
• c: 8.737 ± 0.005 Å
• α: 90°
• β: 106.51 ± 0.05°
• γ: 90°
• Cell volume: 1690 ± 2 ų
• Cell temperature: 299 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 3.5233
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No