Information card for entry 1519986

Structure parameters

• Chemical name: Tetramethylbutylammonium aniline-4-sulphonate
• Formula: C14 H26 N2 O3 S
• Calculated formula: C14 H26 N2 O3 S
• Title of publication: Tetramethylbutylammonium aniline-4-sulphonate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 572
• a: 11.6414 ± 0.0017 Å
• b: 6.2915 ± 0.0008 Å
• c: 22.249 ± 0.003 Å
• α: 90°
• β: 96.148 ± 0.007°
• γ: 90°
• Cell volume: 1620.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2587
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No