Information card for entry 2000876

Structure parameters

• Formula: C15 H16 O3 S
• Calculated formula: C15 H16 O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)OCCc1ccccc1
• Title of publication: Bond length and reactivity. Structure of 2-phenylethyl <i>p</i>-toluenesulfonate
• Authors of publication: Kirby, A. J.; Parker, J. K.; Raithby, P. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 832 - 834
• a: 7.353 ± 0.001 Å
• b: 8.136 ± 0.001 Å
• c: 24.307 ± 0.004 Å
• α: 94.44 ± 0.01°
• β: 89.81 ± 0.01°
• γ: 105.51 ± 0.01°
• Cell volume: 1396.8 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No