Information card for entry 2006761

Structure parameters

• Common name: 8-hydroxyquinoline-O-sulfuric acid
• Chemical name: 8-hydroxyquinoline-O-sulfuric acid
• Formula: C9 H7 N O4 S
• Calculated formula: C9 H7 N O4 S
• SMILES: S(=O)(=O)(Oc1cccc2ccc[nH+]c12)[O-]
• Title of publication: 8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate
• Authors of publication: Popek, Tomasz; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1983 - 1986
• a: 4.965 ± 0.004 Å
• b: 9.728 ± 0.005 Å
• c: 18.168 ± 0.012 Å
• α: 90°
• β: 94.38 ± 0.08°
• γ: 90°
• Cell volume: 874.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.118
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No