Information card for entry 4105868

Structure parameters

• Common name: DPh-NDT4
• Chemical name: DPh-NDT4
• Formula: C26 H16 S2
• Calculated formula: C26 H16 S2
• SMILES: c12c(cc(c3ccccc3)s1)c1ccc3c(c1cc2)cc(c1ccccc1)s3
• 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: 9.5175 ± 0.0014 Å
• b: 5.8072 ± 0.0008 Å
• c: 16.988 ± 0.002 Å
• α: 90°
• β: 90.954 ± 0.002°
• γ: 90°
• Cell volume: 938.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No