Information card for entry 2311497

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-methylpropyl)disulfane-1,2-dicarbothioamide
• Formula: C18 H36 N2 S4
• Calculated formula: C18 H36 N2 S4
• SMILES: S=C(SSC(=S)N(CC(C)C)CC(C)C)N(CC(C)C)CC(C)C
• Title of publication: Crystal structure of tetra-iso-butyl-thiuram di-sulfide.
• Authors of publication: Fontenot, Patricia R.; Wang, Bo; Chen, Yueli; Donahue, James P.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1764 - 1769
• a: 7.2449 ± 0.0011 Å
• b: 9.6102 ± 0.0014 Å
• c: 17.196 ± 0.003 Å
• α: 98.58 ± 0.002°
• β: 94.54 ± 0.002°
• γ: 103.409 ± 0.002°
• Cell volume: 1143.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No