Information card for entry 7158370

Structure parameters

• Common name: TTEA
• Chemical name: 2,6,9,10-tetrakis(p-tolylethynyl)anthracene
• Formula: C50 H34
• Calculated formula: C50 H34
• SMILES: c12c(ccc(C#Cc3ccc(cc3)C)c1)c(C#Cc1ccc(cc1)C)c1cc(ccc1c2C#Cc1ccc(cc1)C)C#Cc1ccc(C)cc1
• Title of publication: Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.
• Authors of publication: Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 44
• Pages of publication: 9692 - 9704
• a: 14.929 ± 0.003 Å
• b: 11.922 ± 0.003 Å
• c: 10.529 ± 0.002 Å
• α: 90°
• β: 92.393 ± 0.007°
• γ: 90°
• Cell volume: 1872.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1812
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No