Information card for entry 2208646

Structure parameters

• Common name: nosic acid potassium salt monohydrate
• Chemical name: Potassium 4-nitrophenylsulfonate monohydrate
• Formula: C6 H6 K N O6 S
• Calculated formula: C6 H6 K N O6 S
• SMILES: [K+].S(=O)(=O)([O-])c1ccc(N(=O)=O)cc1.O
• Title of publication: Potassium 4-nitrophenylsulfonate monohydrate
• Authors of publication: Blatch, Alexandrea J.; Howard, Judith A. K.; Probert, Michael R.; Smethurst, Christian A.; Whiting, Andrew
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m741 - m743
• a: 10.794 ± 0.001 Å
• b: 7.1516 ± 0.0006 Å
• c: 12.417 ± 0.001 Å
• α: 90°
• β: 106.15 ± 0.01°
• γ: 90°
• Cell volume: 920.7 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No