Information card for entry 1572700

Structure parameters

• Chemical name: DTST
• Formula: C26 H20 N4 O4 S2
• Calculated formula: C26 H20 N4 O4 S2
• SMILES: C=NC.c1(cc(c(cc1C#N)Sc1ccc(cc1)C(=O)O)C#N)Sc1ccc(cc1)C(=O)O.C=NC
• Title of publication: Long-persistent luminescence by host-guest Förster resonance energy transfer.
• Authors of publication: Sun, Hui-Li; Zhang, Qiang-Sheng; Wang, Zhong-Hao; Huang, Yan-Ting; Pan, Mei
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 17600 - 17607
• a: 16.713 ± 0.0015 Å
• b: 8.6188 ± 0.001 Å
• c: 9.356 ± 0.0008 Å
• α: 90°
• β: 103.976 ± 0.009°
• γ: 90°
• Cell volume: 1307.8 ± 0.2 ų
• Cell temperature: 240 ± 0.1 K
• Ambient diffraction temperature: 240 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No