Information card for entry 2220927

Structure parameters

• Chemical name: Benzyltributylammonium 4-hydroxynaphthalene-2-sulfonate
• Formula: C29 H41 N O4 S
• Calculated formula: C29 H41 N O4 S
• Title of publication: Benzyltributylammonium 4-hydroxynaphthalene-2-sulfonate
• Authors of publication: Uta, Kazuya; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o320
• a: 11.2676 ± 0.0011 Å
• b: 12.4528 ± 0.0012 Å
• c: 20.549 ± 0.002 Å
• α: 90°
• β: 101.628 ± 0.007°
• γ: 90°
• Cell volume: 2824.1 ± 0.5 ų
• Cell temperature: 296.1 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: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes