Information card for entry 7234776

Structure parameters

• Chemical name: 2,7-dioctyloxy-[1]benzothieno[3,2,b]benzothiophene
• Formula: C30 H40 O2 S2
• Calculated formula: C30 H40 O2 S2
• Title of publication: Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives
• Authors of publication: Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 4863 - 4879
• a: 5.5225 ± 0.0004 Å
• b: 8.0712 ± 0.0004 Å
• c: 31.0578 ± 0.0015 Å
• α: 94.482 ± 0.004°
• β: 92.994 ± 0.005°
• γ: 105.696 ± 0.005°
• Cell volume: 1324.76 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No