Information card for entry 2009563

Structure parameters

• Formula: C19 H22 O4 S
• Calculated formula: C19 H22 O4 S
• SMILES: S(=O)(=O)(OC[C@@H]1[C@H](OCCC1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(OC[C@H]1[C@@H](OCCC1)c1ccccc1)c1ccc(cc1)C
• Title of publication: <i>trans</i>-2-Phenyltetrahydropyran-3-ylmethyl <i>p</i>-toluenesulfonate
• Authors of publication: Raabe, G.; Sawicki, M.; Frauenrath, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 462 - 466
• a: 9.225 ± 0.002 Å
• b: 10.141 ± 0.003 Å
• c: 20.198 ± 0.004 Å
• α: 98.65 ± 0.01°
• β: 98.34 ± 0.01°
• γ: 101.7 ± 0.01°
• Cell volume: 1798.9 ± 0.8 ų
• Cell temperature: 295 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 significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 2.738
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No