Information card for entry 2021871

Structure parameters

• Chemical name: Bis(dipropylthiocarbamoyl)disulfide
• Formula: C14 H28 N2 S4
• Calculated formula: C14 H28 N2 S4
• SMILES: S(SC(=S)N(CCC)CCC)C(=S)N(CCC)CCC
• Title of publication: Bis(dipropylthiocarbamoyl) disulfide
• Authors of publication: Jian, F.; Jiang, L.; Fun, H.-K.; Chinnakali, K.; Razak, I. A.; You, X.
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 573
• a: 11.0232 ± 0.0002 Å
• b: 15.1645 ± 0.0002 Å
• c: 24.2826 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4059.11 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No