Information card for entry 4026322

Structure parameters

• Common name: BTT-dimer
• Chemical name: BTT-dimer
• Formula: C24 H10 S6
• Calculated formula: C24 H10 S6
• Title of publication: Synthesis and Characterization of Benzo[1,2-b:3,4-b':5,6-b'']trithiophene (BTT) Oligomers
• Authors of publication: Tomoya Kashiki; Masahiro Kohara; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4061 - 4070
• a: 16.683 ± 0.018 Å
• b: 3.89 ± 0.004 Å
• c: 17.188 ± 0.019 Å
• α: 90 ± 0.002°
• β: 115.15 ± 0.003°
• γ: 90 ± 0.002°
• Cell volume: 1009.7 ± 1.9 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: 0.0966
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No