Information card for entry 7234892

Structure parameters

• Formula: C26 H32 O2 S2
• Calculated formula: C26 H32 O2 S2
• Title of publication: The role of H-bonds in the solid state organization of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) structures: bis(hydroxy-hexyl)-BTBT, as a functional derivative offering efficient air stable organic field effect transistors (OFETs)
• Authors of publication: Gilles H. Roche; Yu-Tang Tsai; Simon Clevers; Damien Thuau; Frederic Castet; Yves H. Geerts; Joel J. E. Moreau; Guillaume Wantz; Olivier J. Dautel
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 6742 - 6749
• a: 8.446 ± 0.0003 Å
• b: 5.58942 ± 0.00019 Å
• c: 50.2534 ± 0.0015 Å
• α: 90°
• β: 92.829 ± 0.003°
• γ: 90°
• Cell volume: 2369.48 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections included in the refinement: 0.0272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No