Information card for entry 4001250

Structure parameters

• Formula: C14 H16 S4
• Calculated formula: C14 H16 S4
• SMILES: C1CCC(=C2SC3=C(S2)SC(=C2CCCC2)S3)C1
• 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: 10.608 ± 0.007 Å
• b: 13.666 ± 0.006 Å
• c: 5.216 ± 0.002 Å
• α: 96.14 ± 0.03°
• β: 90 ± 0.04°
• γ: 72.13 ± 0.04°
• Cell volume: 715.1 ± 0.7 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: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.371
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No