Information card for entry 7158369

Structure parameters

• Common name: 1,4-di(anthracen-9-yl)buta-1,3-diyne
• Chemical name: 1,4-di(anthracen-9-yl)buta-1,3-diyne
• Formula: C32 H18
• Calculated formula: C32 H18
• SMILES: c12c(c(c3c(c1)cccc3)C#CC#Cc1c3ccccc3cc3c1cccc3)cccc2
• 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: 11.162 ± 0.003 Å
• b: 11.978 ± 0.003 Å
• c: 15.916 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2127.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1641
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No