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Information card for entry 1550575
Preview
| Coordinates | 1550575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H29 O2 P |
|---|---|
| Calculated formula | C22 H29 O2 P |
| SMILES | P(C(=O)C12CC3CC(C1)CC(C2)C3)(C(=O)c1ccccc1)C(C)(C)C |
| Title of publication | Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer |
| Authors of publication | Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 6.4762 ± 0.0006 Å |
| b | 7.8291 ± 0.0007 Å |
| c | 18.9197 ± 0.0017 Å |
| α | 90° |
| β | 92.615 ± 0.003° |
| γ | 90° |
| Cell volume | 958.28 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213534 (current) | 2019-02-08 | cif/ Adding structures of 1550575, 1550576, 1550577 via cif-deposit CGI script. |
1550575.cif |
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Users of the data should acknowledge the original authors of the
structural data.