Information card for entry 2003647

Structure parameters

• Formula: C6 H10 N Na O9 S
• Calculated formula: C6 H10 N Na O9 S
• SMILES: c1(cc(c(cc1)O)N(=O)=O)S(=O)(=O)[O-].[Na+].O.O.O
• Title of publication: Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate
• Authors of publication: Squattrito, P. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1282 - 1284
• a: 7.986 ± 0.001 Å
• b: 12.798 ± 0.003 Å
• c: 5.481 ± 0.001 Å
• α: 94.08 ± 0.02°
• β: 95.45 ± 0.01°
• γ: 95.81 ± 0.01°
• Cell volume: 552.94 ± 0.18 ų
• Cell temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for significantly intense reflections: 1.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No