Information card for entry 7064051

Structure parameters

• Chemical name: OH-SOpAD
• Formula: C27 H23 N O3 S
• Calculated formula: C27 H23 N O3 S
• Title of publication: Intermolecular H-bond promoting diphenylsulfone derivatives for aggregation-induced blue-shifted thermally activated delayed fluorescence
• Authors of publication: Han, Yuanping; Liu, Hanrong; Xia, Yan; Li, Jie; Jia, Junhui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 18848 - 18854
• a: 8.1193 ± 0.0003 Å
• b: 17.2395 ± 0.0007 Å
• c: 15.7214 ± 0.0005 Å
• α: 90°
• β: 102.828 ± 0.003°
• γ: 90°
• Cell volume: 2145.64 ± 0.14 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No