Information card for entry 4001473

Structure parameters

• Formula: C12 H12 S4
• Calculated formula: C12 H12 S4
• SMILES: S1C(SC2=C1CCC2)=C1SC2=C(S1)CCC2
• Title of publication: High Mobility Organic Field-Effect Transistor Based on Hexamethylenetetrathiafulvalene with Organic Metal Electrodes
• Authors of publication: Takahashi, Yukihiro; Hasegawa, Tatsuo; Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori; Saito, Gunji
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 6382
• a: 6.377 ± 0.003 Å
• b: 14.534 ± 0.007 Å
• c: 12.919 ± 0.007 Å
• α: 90°
• β: 94.683 ± 0.011°
• γ: 90°
• Cell volume: 1193.4 ± 1 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.688 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No