Information card for entry 2215893

Structure parameters

• Chemical name: 1-(4-Methoxybenzyl)pyridinium <i>p</i>-toluenesulfonate
• Formula: C20 H21 N O4 S
• Calculated formula: C20 H21 N O4 S
• SMILES: C(c1ccc(cc1)OC)[n+]1ccccc1.c1(ccc(cc1)C)S(=O)(=O)[O-]
• Title of publication: 1-(4-Methoxybenzyl)pyridinium <i>p</i>-toluenesulfonate
• Authors of publication: Achilonu, Matthew C.; Janse van Rensburg, J. Marthinus; Westhuizen, Jan H. van der; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4326 - o4326
• a: 9.668 ± 0.005 Å
• b: 20.096 ± 0.005 Å
• c: 9.852 ± 0.005 Å
• α: 90°
• β: 110.639 ± 0.005°
• γ: 90°
• Cell volume: 1791.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes