Information card for entry 7207294

Structure parameters

• Chemical name: (Z, Z)-cyclo[2](dibenzo[b,d]thiophen-2, 8-yl-ethylene)
• Formula: C28 H16 S2
• Calculated formula: C28 H16 S2
• SMILES: c12c3c4c(ccc(c4)C=Cc4ccc5c(c4)c4c(ccc(c4)C=Cc(cc2)c3)s5)s1
• 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: 12.339 ± 0.003 Å
• b: 4.748 ± 0.0009 Å
• c: 16.949 ± 0.003 Å
• α: 90°
• β: 110.06 ± 0.03°
• γ: 90°
• Cell volume: 932.7 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No