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Information card for entry 1574171
Preview
Coordinates | 1574171.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H31 I N P |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
300579 (current) | 2025-07-06 | cif/ Updating files of 1574171, 1574172, 1574173 Original log message: Adding full bibliography for 1574171--1574173.cif. |
1574171.cif |
298478 | 2025-03-18 | cif/ Adding structures of 1574171, 1574172, 1574173 via cif-deposit CGI script. |
1574171.cif |
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Users of the data should acknowledge the original authors of the
structural data.