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Information card for entry 4519025
Preview
| Coordinates | 4519025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N O2 P S |
|---|---|
| Calculated formula | C20 H18 N O2 P S |
| Title of publication | Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions |
| Authors of publication | Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L. |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2021 |
| Journal volume | 9 |
| Journal issue | 32 |
| Pages of publication | 10704 - 10709 |
| a | 12.1983 ± 0.0001 Å |
| b | 10.781 ± 0.0001 Å |
| c | 13.9142 ± 0.0001 Å |
| α | 90° |
| β | 104.72 ± 0.001° |
| γ | 90° |
| Cell volume | 1769.8 ± 0.03 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0257 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268443 (current) | 2021-09-04 | cif/ Adding structures of 4519018, 4519019, 4519020, 4519021, 4519022, 4519023, 4519024, 4519025, 4519026, 4519027 via cif-deposit CGI script. |
4519025.cif |
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Users of the data should acknowledge the original authors of the
structural data.