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Information card for entry 7244897
Preview
| Coordinates | 7244897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H24 N2 O5 |
|---|---|
| Calculated formula | C21 H24 N2 O5 |
| SMILES | O(C(=O)Nc1c(C(=O)N[C@H](C(=O)OC)c2ccccc2)cccc1)C(C)(C)C |
| 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 | 9.9889 ± 0.0009 Å |
| b | 10.8567 ± 0.0012 Å |
| c | 9.9953 ± 0.001 Å |
| α | 90° |
| β | 105.531 ± 0.003° |
| γ | 90° |
| Cell volume | 1044.38 ± 0.18 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 | 0.0737 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.869 |
| 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. |
7244897.cif |
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Users of the data should acknowledge the original authors of the
structural data.