Information card for entry 7119166

Structure parameters

• Chemical name: 1-TA-AN
• Formula: C26 H16 S2
• Calculated formula: C26 H16 S2
• SMILES: c12ccccc1cc1ccccc1c2c1cccc2c1Sc1c(cccc1)S2
• Title of publication: Excimer-induced high-efficiency fluorescence due to pairwise anthracene stacking in a crystal with long lifetime
• Authors of publication: Haichao Liu; Liang Yao; Bao Li; Xiankai Chen; Yu Gao; Shitong Zhang; Weijun Li; Ping Lu; Bing Yang; Yuguang Ma
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7356
• a: 15.113 ± 0.003 Å
• b: 7.708 ± 0.0015 Å
• c: 16.178 ± 0.003 Å
• α: 90°
• β: 94 ± 0.03°
• γ: 90°
• Cell volume: 1880 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No