Information card for entry 7158368

Structure parameters

• Common name: TDMAEA
• Chemical name: 4,4',4'',4'''-(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(N,N-dimethylaniline)
• Formula: C54 H46 N4
• Calculated formula: C54 H46 N4
• 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: 9.2771 ± 0.0009 Å
• b: 9.6139 ± 0.0008 Å
• c: 14.3349 ± 0.0014 Å
• α: 71.119 ± 0.003°
• β: 86.812 ± 0.004°
• γ: 61.782 ± 0.003°
• Cell volume: 1058.66 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No