Information card for entry 2013478

Structure parameters

• Formula: C18 H15 N O4 S2
• Calculated formula: C18 H15 N O4 S2
• SMILES: S(=O)(=O)(c1ccccc1)[C-](S(=O)(=O)c1ccccc1)[n+]1ccccc1
• Title of publication: 1,1-Bis(phenylsulfonyl)-1-(pyridinio)methanide
• Authors of publication: Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o376 - o377
• a: 8.9402 ± 0.0002 Å
• b: 17.2777 ± 0.0005 Å
• c: 11.3437 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1752.22 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes