Information card for entry 7059740

Structure parameters

• Formula: C30 H26 O4 S2 Si
• Calculated formula: C30 H26 O4 S2 Si
• 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: 9.7622 ± 0.0005 Å
• b: 22.7394 ± 0.001 Å
• c: 11.8095 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2621.6 ± 0.2 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1738
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No