Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519022
Preview
| Coordinates | 4519022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47.01 H44.01 N2 O4 P2 |
|---|---|
| Calculated formula | C47.014 H44.014 N2 O4 P2 |
| 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 | 8.7408 ± 0.0002 Å |
| b | 10.399 ± 0.0003 Å |
| c | 11.263 ± 0.0003 Å |
| α | 82.043 ± 0.002° |
| β | 85.124 ± 0.002° |
| γ | 82.282 ± 0.002° |
| Cell volume | 1002.41 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4519022.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.