Information card for entry 2237515

Structure parameters

• Chemical name: Tetraethylammonium toluene-4-sulfonate
• Formula: C15 H27 N O3 S
• Calculated formula: C14.9985 H27 N O2.9955 S0.9985
• Title of publication: Tetraethylammonium toluene-4-sulfonate
• Authors of publication: Brus, Diana Malgorzata; Czyrko, Justyna; Brzezinski, Krzysztof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o324
• a: 16.8771 ± 0.0003 Å
• b: 7.53713 ± 0.00016 Å
• c: 26.2404 ± 0.0006 Å
• α: 90°
• β: 97.2938 ± 0.0018°
• γ: 90°
• Cell volume: 3310.9 ± 0.12 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 all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes