Information card for entry 1574171

Structure parameters

• Formula: C29 H31 I N P
• Calculated formula: C29 H31 I N P
• SMILES: [I-].[P+](c1c(cccc1)c1ccccc1N(C)C)(c1ccccc1)(c1ccccc1)CCC
• 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: 11.1724 ± 0.0009 Å
• b: 14.0119 ± 0.0009 Å
• c: 17.0939 ± 0.0012 Å
• α: 90°
• β: 99.724 ± 0.004°
• γ: 90°
• Cell volume: 2637.5 ± 0.3 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1465
• 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