Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7244899
Preview
| Coordinates | 7244899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H24 N2 O5 |
|---|---|
| Calculated formula | C21 H24 N2 O5 |
| SMILES | O(C(C)(C)C)C(=O)Nc1ccccc1C(=O)N[C@H](c1ccccc1)C(=O)OC |
| Title of publication | Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers |
| Authors of publication | Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 9.967 ± 0.007 Å |
| b | 10.881 ± 0.008 Å |
| c | 9.994 ± 0.007 Å |
| α | 90° |
| β | 105.28 ± 0.02° |
| γ | 90° |
| Cell volume | 1045.5 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275152 (current) | 2022-05-07 | cif/ Adding structures of 7244897, 7244898, 7244899, 7244900 via cif-deposit CGI script. |
7244899.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.