Information card for entry 1574484

Structure parameters

• Chemical name: Phen-Tpa
• Formula: C110 H92 N8 O4.5
• Calculated formula: C110 H90.588 N8 O5.168
• Title of publication: Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination
• Authors of publication: Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 9802 - 9808
• a: 9.7465 ± 0.0001 Å
• b: 10.1714 ± 0.0001 Å
• c: 21.346 ± 0.0002 Å
• α: 89.847 ± 0.001°
• β: 85.104 ± 0.001°
• γ: 75.293 ± 0.001°
• Cell volume: 2038.95 ± 0.04 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: micro-focusmetaljet
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No