Information card for entry 2009943

Structure parameters

• Formula: C7 H11 N O4 S
• Calculated formula: C7 H11 N O4 S
• Title of publication: Monohydrates of two isomers of aminotoluenesulfonic acid
• Authors of publication: Shubnell, A. J.; Squattrito, P. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1296 - 1299
• a: 8.514 ± 0.001 Å
• b: 8.817 ± 0.001 Å
• c: 6.028 ± 0.001 Å
• α: 96.66 ± 0.01°
• β: 93.35 ± 0.01°
• γ: 93.83 ± 0.01°
• Cell volume: 447.45 ± 0.1 ų
• Cell temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 3.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No