Information card for entry 7207296

Structure parameters

• Chemical name: (E)-1, 2-bis(dibenzo[b,d]thiophen-2-yl)ethene
• Formula: C26 H16 S2
• Calculated formula: C26 H16 S2
• SMILES: c12ccccc1c1c(s2)ccc(c1)/C=C/c1ccc2c(c3c(cccc3)s2)c1
• Title of publication: Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures
• Authors of publication: Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 1313
• a: 6.792 ± 0.0015 Å
• b: 10.677 ± 0.002 Å
• c: 12.729 ± 0.003 Å
• α: 90°
• β: 97.719 ± 0.004°
• γ: 90°
• Cell volume: 914.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No