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Information card for entry 4519018
Preview
| Coordinates | 4519018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 F N O2 P |
|---|---|
| Calculated formula | C19 H15 F N O2 P |
| 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 | 8.6254 ± 0.0003 Å |
| b | 8.9016 ± 0.0003 Å |
| c | 10.8499 ± 0.0003 Å |
| α | 80.225 ± 0.003° |
| β | 85.954 ± 0.003° |
| γ | 77.248 ± 0.003° |
| Cell volume | 800.24 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0297 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
4519018.cif |
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Users of the data should acknowledge the original authors of the
structural data.