Information card for entry 7215495

Structure parameters

• Formula: C30 H36 O2 S5
• Calculated formula: C30 H36 O2 S5
• SMILES: s1c(c(c2S(=O)(=O)c3c(sc(c4sc(CCCCCC)cc4)c3C)c12)C)c1sc(CCCCCC)cc1
• Title of publication: Influence of the oxidation level on the electronic, morphological and charge transport properties of novel dithienothiophene S-oxide and S,S-dioxide inner core oligomers
• Authors of publication: Santato, Clara; Favaretto, Laura; Melucci, Manuela; Zanelli, Alberto; Gazzano, Massimo; Monari, Magda; Isik, Dilek; Banville, David; Bertolazzi, Simone; Loranger, Sébastien; Cicoira, Fabio
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 4
• Pages of publication: 669
• a: 9.2754 ± 0.0015 Å
• b: 11.6067 ± 0.0019 Å
• c: 14.374 ± 0.002 Å
• α: 80.407 ± 0.002°
• β: 87.018 ± 0.002°
• γ: 88.813 ± 0.002°
• Cell volume: 1523.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1439
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No