Information card for entry 2004193

Structure parameters

• Formula: C13 H17 F O3 S
• Calculated formula: C13 H17 F O3 S
• SMILES: F[C@@H]1CCCC[C@H]1OS(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>trans</i>-2-Fluorocyclohexyl <i>p</i>-Toluenesulfonate and <i>trans</i>-2-Fluorocycloheptyl <i>p</i>-Toluenesulfonate
• Authors of publication: Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2705 - 2707
• a: 7.346 ± 0.001 Å
• b: 5.87 ± 0.002 Å
• c: 15.959 ± 0.003 Å
• α: 90°
• β: 99.64 ± 0.01°
• γ: 90°
• Cell volume: 678.5 ± 0.3 ų
• Cell temperature: 300 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No