Information card for entry 4025263

Structure parameters

• Common name: dimer of 2
• Formula: C24 H6 Br4 F10 S2
• Calculated formula: C24 H6 Br4 F10 S2
• SMILES: Brc1sc(Br)cc1C1C(c2c(F)c(F)c(F)c(F)c2F)C(C1c1c(F)c(F)c(F)c(F)c1F)c1c(Br)sc(Br)c1
• Title of publication: Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers
• Authors of publication: Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1561 - 1568
• a: 13.8315 ± 0.001 Å
• b: 11.1491 ± 0.0008 Å
• c: 17.5648 ± 0.0012 Å
• α: 90°
• β: 109.276 ± 0.001°
• γ: 90°
• Cell volume: 2556.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No