Information card for entry 7202472

Structure parameters

• Formula: C70 H88 S3
• Calculated formula: C70 H88 S3
• SMILES: s1c(ccc1c1sc(cc1)c1cc2c(cc1)c1c(cccc1)C2(CCCCCCCC)CCCCCCCC)c1sc(cc1)c1cc2c(cc1)c1c(cccc1)C2(CCCCCCCC)CCCCCCCC
• Title of publication: Solid-state assemblies and optical properties of conjugated oligomers combining fluorene and thiophene units
• Authors of publication: Mathieu Surin; Prashant Sonar; Andrew C. Grimsdale; Klaus Müllen; Steven De Feyter; Satoshi Habuchi; Stefano Sarzi; Els Braeken; An Ver Heyen; Mark Van der Auweraer; Frans C. De Schryver; Massimiliano Cavallini; Jean-François Moulin; Fabio Biscarini; Cristina Femoni; Roberto Lazzaroni; Philippe Leclère
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 728
• a: 17.432 ± 0.006 Å
• b: 18.687 ± 0.006 Å
• c: 21.199 ± 0.007 Å
• α: 83.439 ± 0.007°
• β: 66.224 ± 0.007°
• γ: 89.876 ± 0.006°
• Cell volume: 6271 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2555
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No