Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7700473
Preview
| Coordinates | 7700473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H17 N2 P S |
|---|---|
| Calculated formula | C21 H17 N2 P S |
| Title of publication | Aluminium complex as an efficient catalyst for the chemo-selective reduction of amides to amines. |
| Authors of publication | Das, Suman; Karmakar, Himadri; Bhattacharjee, Jayeeta; Panda, Tarun K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 31 |
| Pages of publication | 11978 - 11984 |
| a | 9.6363 ± 0.0004 Å |
| b | 15.4223 ± 0.0006 Å |
| c | 12.3931 ± 0.0004 Å |
| α | 90° |
| β | 104.016 ± 0.004° |
| γ | 90° |
| Cell volume | 1786.95 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.101 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700473.cif |
| 224366 | 2019-11-08 | cif/ Updating files of 7700471, 7700472, 7700473 Original log message: Adding full bibliography for 7700471--7700473.cif. |
7700473.cif |
| 216850 | 2019-07-09 | cif/ Adding structures of 7700471, 7700472, 7700473 via cif-deposit CGI script. |
7700473.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.