Information card for entry 2014224

Structure parameters

• Common name: p-nitrophenyl sufate potassium salt
• Chemical name: potassium p-nitrophenyl sulfate
• Formula: C6 H4 K N O6 S
• Calculated formula: C6 H4 K N O6 S
• SMILES: [K+].S(=O)(=O)(Oc1ccc(cc1)N(=O)=O)[O-]
• Title of publication: Potassium <i>p</i>-nitrophenyl sulfate
• Authors of publication: Sierosławski, Krzysztof; Popek, Tomasz; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m327 - m329
• a: 6.905 ± 0.003 Å
• b: 13.116 ± 0.005 Å
• c: 18.969 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1717.9 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No