Information card for entry 7064052

Structure parameters

• Formula: C27 H22 F N O2 S
• Calculated formula: C27 H22 F N O2 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: 8.17384 ± 0.00017 Å
• b: 17.3356 ± 0.0004 Å
• c: 15.9288 ± 0.0004 Å
• α: 90°
• β: 103.372 ± 0.002°
• γ: 90°
• Cell volume: 2195.89 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No