Information card for entry 2001303

Structure parameters

• Chemical name: 8-N,N-di-p-toluenesulphonamidoquinoline
• Formula: C23 H20 N2 O4 S2
• Calculated formula: C23 H20 N2 O4 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)N(S(=O)(=O)c1ccc(cc1)C)c1cccc2c1nccc2
• Title of publication: 8-(<i>N</i>,<i>N</i>-Di-<i>p</i>-toluenesulfonylamino)quinoline
• Authors of publication: Lincoln, S. F.; Mahadevan, I. B.; Tiekink, E. R. T.; Ward, A. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1775 - 1777
• a: 13.784 ± 0.004 Å
• b: 22.51 ± 0.004 Å
• c: 13.409 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4160.5 ± 1.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 3.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No