Information card for entry 7100681

Structure parameters

• Common name: potassium 4-nitrophenyl sulfate
• Formula: C6 H4 K N O6 S
• Calculated formula: C6 H4 K N O6 S
• SMILES: N(=O)(=O)c1ccc(cc1)OS(=O)(=O)[O-].[K+]
• Title of publication: Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer
• Authors of publication: Spencer Williams; Emma Denehy; Jonathan M. White
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 6.9153 ± 0.0004 Å
• b: 13.1212 ± 0.0007 Å
• c: 18.9869 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1722.82 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No