Information card for entry 2220720

Structure parameters

• Chemical name: Benzyltributylammonium 7-hydroxynaphthalene-1-sulfonate
• Formula: C29 H41 N O4 S
• Calculated formula: C29 H41 N O4 S
• Title of publication: Benzyltributylammonium 7-hydroxynaphthalene-1-sulfonate
• Authors of publication: Sato, Yohei; Uta, Kazuya; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o321
• a: 19.8286 ± 0.0006 Å
• b: 8.8549 ± 0.0002 Å
• c: 16.7501 ± 0.0004 Å
• α: 90°
• β: 104.757 ± 0.0013°
• γ: 90°
• Cell volume: 2843.98 ± 0.13 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes