Information card for entry 2213198

Structure parameters

• Chemical name: Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate
• Formula: C29 H41 N O4 S
• Calculated formula: C29 H41.16 N O4 S
• Title of publication: Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate
• Authors of publication: Mizuguchi, Jin; Sato, Yohei; Uta, Kazuya; Sato, Kazuyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2509 - o2510
• a: 14.381 ± 0.0011 Å
• b: 9.8124 ± 0.0007 Å
• c: 19.7757 ± 0.0015 Å
• α: 90°
• β: 92.56 ± 0.005°
• γ: 90°
• Cell volume: 2787.8 ± 0.4 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: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes