Information card for entry 2004699

Structure parameters

• Chemical name: 3-amino-4-hydroxybenzenesulfonic acid hemihydrate
• Formula: C6 H8 N O4.5 S
• Calculated formula: C6 H8 N O4.5 S
• Title of publication: 3-Amino-4-hydroxybenzenesulfonic Acid Hemihydrate
• Authors of publication: Gunderman, B. J.; Squattrito, P. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 940 - 942
• a: 11.273 ± 0.003 Å
• b: 10.41 ± 0.004 Å
• c: 13.796 ± 0.003 Å
• α: 90°
• β: 100.35 ± 0.02°
• γ: 90°
• Cell volume: 1592.6 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 2.65
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No