Information card for entry 7054571

Structure parameters

• Formula: C24 H34 O4 S4
• Calculated formula: C24 H34 O4 S4
• SMILES: c1(c2c(c(s1)SCCCCCC)OCCO2)c1c2c(c(s1)SCCCCCC)OCCO2
• Title of publication: Bis-EDOT end capped by n-hexyl or n-hexylsulfanyl groups: the effect of the substituents on the stability of the oxidized states
• Authors of publication: Turbiez, Mathieu; Faye, Djibril; Leriche, Philippe; Frère, Pierre
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1678
• a: 4.919 ± 0.002 Å
• b: 7.285 ± 0.001 Å
• c: 18.574 ± 0.002 Å
• α: 84.19 ± 0.01°
• β: 86.42 ± 0.01°
• γ: 84.08 ± 0.02°
• Cell volume: 657.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No