Information card for entry 4105869

Structure parameters

• Common name: DPh-BTBT
• Chemical name: DPh-BTBT
• Formula: C26 H16 S2
• Calculated formula: C26 H16 S2
• SMILES: c12c(ccc(c1)c1ccccc1)c1c(s2)c2c(cc(cc2)c2ccccc2)s1
• Title of publication: Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors
• Authors of publication: Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5024 - 5035
• a: 6.334 ± 0.002 Å
• b: 7.462 ± 0.005 Å
• c: 19.516 ± 0.002 Å
• α: 90°
• β: 93.06 ± 0.03°
• γ: 90°
• Cell volume: 921.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No