Information card for entry 2203816

Structure parameters

• Formula: C20 H24 N6 O4 S4
• Calculated formula: C20 H24 N6 O4 S4
• SMILES: S(Sc1c(nn(c1C(=O)N1CCSC1=O)C)CC)c1c(nn(c1C(=O)N1CCSC1=O)C)CC
• Title of publication: Bis[3-ethyl-1-methyl-5-(2-oxothiazolidin-3-ylcarbonyl)pyrazol-4-yl] disulfide
• Authors of publication: Cheng-Xia Tan; Jian-Ming Gu; De-Long Shen; Jian-Quan Weng; De-Fang Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1029 - o1030
• a: 13.342 ± 0.001 Å
• b: 15.552 ± 0.001 Å
• c: 12.013 ± 0.0008 Å
• α: 90°
• β: 94.076 ± 0.002°
• γ: 90°
• Cell volume: 2486.3 ± 0.3 ų
• Cell temperature: 295 ± 1 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 significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes