Information card for entry 2009865

Structure parameters

• Chemical name: (R)-(+)-2-phenylpropyl p-toluenesulfonate
• Formula: C16 H18 O3 S
• Calculated formula: C16 H18 O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)OC[C@H](c1ccccc1)C
• Title of publication: (<i>R</i>)-(+)-2-Phenylpropyl <i>p</i>-toluenesulfonate, C~16~H~18~O~3~S
• Authors of publication: Gallardo, Hugo; Merlo, Aloir A.; Vencato, Ivo; Mascarenhas, Yvonne P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1093 - 1095
• a: 5.923 ± 0.001 Å
• b: 15.708 ± 0.002 Å
• c: 8.421 ± 0.002 Å
• α: 90°
• β: 105.7 ± 0.02°
• γ: 90°
• Cell volume: 754.2 ± 0.3 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 3.84
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No