Information card for entry 2220795

Structure parameters

• Chemical name: Benzyltributylammonium 4,6-dihydroxynaphthalene-2-sulfonate
• Formula: C29 H41 N O5 S
• Calculated formula: C29 H41 N O5 S
• Title of publication: Benzyltributylammonium 4,6-dihydroxynaphthalene-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: o322
• a: 18.6976 ± 0.0003 Å
• b: 15.3045 ± 0.0002 Å
• c: 19.7287 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5645.51 ± 0.14 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.5472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.492
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes