Information card for entry 1572701

Structure parameters

• Chemical name: DPDA
• Formula: C25 H18 N3 O7
• Calculated formula: C25 H18 N3 O7
• SMILES: O(c1ccc(cc1)C(=O)O)c1cc(c(Oc2ccc(cc2)C(=O)O)cc1C#N)C#N.O=CN(C)C
• 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: 8.589 ± 0.0005 Å
• b: 13.184 ± 0.0008 Å
• c: 39.0756 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4424.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No