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Information card for entry 7155848
Preview
| Coordinates | 7155848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 Cl2 N2 O5 |
|---|---|
| Calculated formula | C23 H26 Cl2 N2 O5 |
| SMILES | O=C(OC)C(=O)C[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccccc1)C.ClCCl |
| Title of publication | Metal-free, direct conversion of α-amino acids into α-keto γ-amino esters for the syntesis of α,γ-Peptides |
| Authors of publication | HERNÁNDEZ MESA, DÁCIL; Boto, Alicia; Guzman, David; Alvarez González, Eleuterio |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 10.9737 ± 0.0008 Å |
| b | 4.9511 ± 0.0004 Å |
| c | 22.0555 ± 0.0019 Å |
| α | 90° |
| β | 102.768 ± 0.003° |
| γ | 90° |
| Cell volume | 1168.69 ± 0.16 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1007 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.2366 |
| Weighted residual factors for all reflections included in the refinement | 0.2513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199924 (current) | 2017-08-24 | cif/ Adding structures of 7155847, 7155848 via cif-deposit CGI script. |
7155848.cif |
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Users of the data should acknowledge the original authors of the
structural data.