Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519026
Preview
| Coordinates | 4519026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 N2 O3 P S |
|---|---|
| Calculated formula | C19 H15 N2 O3 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 | 18.8671 ± 0.0001 Å |
| b | 11.7269 ± 0.0001 Å |
| c | 16.0554 ± 0.0001 Å |
| α | 90° |
| β | 95.579 ± 0.001° |
| γ | 90° |
| Cell volume | 3535.47 ± 0.04 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
4519026.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.