Information card for entry 4001249

Structure parameters

• Formula: C10 H12 S4
• Calculated formula: C10 H12 S4
• SMILES: CC(=C1SC2=C(S1)SC(=C(C)C)S2)C
• Title of publication: Organic Field-Effect Transistors Based on Alkyl-Terminated Tetrathiapentalene (TTP) Derivatives
• Authors of publication: Bando, Yoshimasa; Shirahata, Takashi; Shibata, Koji; Wada, Hiroshi; Mori, Takehiko; Imakubo, Tatsuro
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 5119
• a: 6.419 ± 0.002 Å
• b: 8.081 ± 0.003 Å
• c: 6.116 ± 0.002 Å
• α: 102.1 ± 0.02°
• β: 95.89 ± 0.02°
• γ: 106.87 ± 0.03°
• Cell volume: 292.29 ± 0.18 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.933
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No