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Information card for entry 1568295
Preview
Coordinates | 1568295.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H16 Cl4 N P |
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Calculated formula | C20 H16 Cl4 N P |
SMILES | P(c1cc(Cl)cc(Cl)c1)(c1ccc(N(C)C)cc1)c1cc(Cl)cc(Cl)c1 |
Title of publication | Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals. |
Authors of publication | Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 7 |
Pages of publication | 1871 - 1877 |
a | 9.4252 ± 0.0005 Å |
b | 10.4766 ± 0.0006 Å |
c | 10.6229 ± 0.0006 Å |
α | 91.285 ± 0.002° |
β | 107.443 ± 0.002° |
γ | 93.782 ± 0.002° |
Cell volume | 997.55 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1413 |
Weighted residual factors for all reflections included in the refinement | 0.1437 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
281381 (current) | 2023-03-04 | cif/ Updating files of 1568291, 1568292, 1568293, 1568294, 1568295 Original log message: Adding full bibliography for 1568291--1568295.cif. |
1568295.cif |
280419 | 2023-01-19 | cif/ Adding structures of 1568291, 1568292, 1568293, 1568294, 1568295 via cif-deposit CGI script. |
1568295.cif |
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Users of the data should acknowledge the original authors of the
structural data.