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Information card for entry 4127226
Preview
| Coordinates | 4127226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H57 F4 N O3 P S |
|---|---|
| Calculated formula | C39 H57 F4 N O3 P S |
| Title of publication | Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring. |
| Authors of publication | Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 20 |
| Pages of publication | 8083 - 8087 |
| a | 11.096 ± 0.007 Å |
| b | 11.353 ± 0.009 Å |
| c | 16.047 ± 0.011 Å |
| α | 76.64 ± 0.02° |
| β | 69.873 ± 0.014° |
| γ | 79.271 ± 0.019° |
| Cell volume | 1834 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223189 (current) | 2019-11-04 | cif/ Updating files of 4127223, 4127224, 4127225, 4127226 Original log message: Adding full bibliography for 4127223--4127226.cif. |
4127226.cif |
| 215078 | 2019-05-13 | cif/ Adding structures of 4127223, 4127224, 4127225, 4127226 via cif-deposit CGI script. |
4127226.cif |
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Users of the data should acknowledge the original authors of the
structural data.