Information card for entry 7158367

Structure parameters

• Common name: TMPEA
• Chemical name: 2,6,9,10-tetrakis((2-methoxyphenyl)ethynyl)anthracene
• Formula: C50 H34 O4
• Calculated formula: C50 H34 O4
• 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: 4.6663 ± 0.0005 Å
• b: 14 ± 0.0016 Å
• c: 14.5094 ± 0.0017 Å
• α: 75.898 ± 0.004°
• β: 83.094 ± 0.004°
• γ: 83.357 ± 0.004°
• Cell volume: 908.96 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No