Information card for entry 1574173

Structure parameters

• Formula: C30 H31 F3 N O3 P S
• Calculated formula: C30 H31 F3 N O3 P S
• SMILES: [P+](c1ccccc1)(c1c(c2c(N(C)C)cccc2)cccc1)(CCC)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting
• Authors of publication: Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 7239 - 7248
• a: 9.2871 ± 0.0003 Å
• b: 13.5822 ± 0.0005 Å
• c: 21.8141 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2751.61 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No