Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572749
Preview
| Coordinates | 1572749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 N O3 P S |
|---|---|
| Calculated formula | C29 H28 N O3 P S |
| Title of publication | Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature. |
| Authors of publication | Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 43 |
| Pages of publication | 17962 - 17970 |
| a | 11.2161 ± 0.0017 Å |
| b | 11.2502 ± 0.0018 Å |
| c | 11.6904 ± 0.0018 Å |
| α | 89.379 ± 0.005° |
| β | 62.804 ± 0.004° |
| γ | 74.413 ± 0.005° |
| Cell volume | 1253 ± 0.3 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1345 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296377 (current) | 2024-12-06 | cif/ Updating files of 1572747, 1572748, 1572749 Original log message: Adding full bibliography for 1572747--1572749.cif. |
1572749.cif |
| 295020 | 2024-10-04 | cif/ Adding structures of 1572747, 1572748, 1572749 via cif-deposit CGI script. |
1572749.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.