Information card for entry 2003906

Structure parameters

• Common name: N,N'-ditosyl-p-phenylenediamine
• Formula: C24 H32 N2 O6 S4
• Calculated formula: C24 H32 N2 O6 S4
• SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C.CS(=O)C.CS(=O)C
• Title of publication: <i>N</i>,<i>N</i>'-Ditosyl-<i>p</i>-phenylenediamine Bis(dimethyl sulfoxide), C~20~H~20~N~2~O~4~S~2~.2C~2~H~6~OS
• Authors of publication: Nagel, N.; Näther, C.; Bock, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1935 - 1937
• a: 6.846 ± 0.001 Å
• b: 8.076 ± 0.001 Å
• c: 12.741 ± 0.002 Å
• α: 89.99 ± 0.01°
• β: 83.09 ± 0.01°
• γ: 82.77 ± 0.01°
• Cell volume: 693.67 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.0872
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No