Information card for entry 2208217

Structure parameters

• Common name: 2,2'-Dithiodisalicylic acid dimethylformamide disolvate
• Chemical name: 2,2'-Dithiodisalicylic acid dimethylformamide disolvate
• Formula: C20 H24 N2 O6 S2
• Calculated formula: C20 H24 N2 O6 S2
• SMILES: S(Sc1c(C(=O)O)cccc1)c1c(C(=O)O)cccc1.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: 2,2'-Dithiodisalicylic acid dimethylformamide disolvate
• Authors of publication: Yue-Peng Cai; Feng Sun; Li-Cai Zhu; Qiong-Yan Yu; Mao-Sheng Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o841 - o842
• a: 7.554 ± 0.003 Å
• b: 7.71 ± 0.003 Å
• c: 20.046 ± 0.008 Å
• α: 83.486 ± 0.007°
• β: 84.933 ± 0.006°
• γ: 83.057 ± 0.007°
• Cell volume: 1148.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes