Information card for entry 4105870

Structure parameters

• Common name: DPh-NDT1
• Chemical name: DPh-NDT1
• Formula: C26 H16 S2
• Calculated formula: C27 H16 S1.62
• 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: 5.922 ± 0.01 Å
• b: 7.595 ± 0.012 Å
• c: 40.63 ± 0.07 Å
• α: 90°
• β: 93.753 ± 0.006°
• γ: 90°
• Cell volume: 1824 ± 5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.266
• Weighted residual factors for all reflections included in the refinement: 0.3005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No