Information card for entry 2219263

Structure parameters

• Chemical name: 2-Methoxy-4-methylphenyl 4-toluenesulfonate
• Formula: C15 H16 O4 S
• Calculated formula: C15 H16 O4 S
• SMILES: S(=O)(=O)(Oc1c(OC)cc(cc1)C)c1ccc(cc1)C
• Title of publication: 2-Methoxy-4-methylphenyl 4-toluenesulfonate
• Authors of publication: Ramachandran, G.; Kanakam, Charles Christopher; Gunasekaran, B.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1760
• a: 7.932 ± 0.002 Å
• b: 8.736 ± 0.003 Å
• c: 10.934 ± 0.003 Å
• α: 93.785 ± 0.005°
• β: 98.453 ± 0.005°
• γ: 102.476 ± 0.004°
• Cell volume: 728 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes