Information card for entry 7059741

Structure parameters

• Formula: C24 H18 S2
• Calculated formula: C24 H18 S2
• Title of publication: Synthesis, photophysical and electropolymerization properties of thiophene-substituted 2,3-diphenylbuta-1,3-dienes
• Authors of publication: Roger, Maxime; Amro, Kassem; Rault-Berthelot, Joëlle; Quiot, Mathias; Van der Lee, Arie; Poriel, Cyril; Richeter, Sébastien; Clément, Sébastien; Gerbier, Philippe
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 12556 - 12567
• a: 8.974979 ± 0.000018 Å
• b: 9.87642 ± 0.00002 Å
• c: 11.38296 ± 0.00002 Å
• α: 100.05 ± 0.003°
• β: 98.367 ± 0.003°
• γ: 104.414 ± 0.003°
• Cell volume: 943.16 ± 0.02 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0472
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No