Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312134
Preview
| Coordinates | 2312134.cif |
|---|---|
| Structure factors | 2312134.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[(Benzyloxycarbonyl)alanyl]isoleucine |
|---|---|
| Formula | C17 H24 N2 O5 |
| Calculated formula | C17 H24 N2 O5 |
| Title of publication | Z-Ala-Ile-OH, a dipeptide building block suitable for the formation of orthorhombic microtubes. |
| Authors of publication | Gessmann, Renate; Garcia-Saez, Isabel; Simatos, Georgios; Mitraki, Anna |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| Pages of publication | 277 - 282 |
| a | 4.82 ± 0.001 Å |
| b | 19.11 ± 0.004 Å |
| c | 19.28 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1775.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1664 |
| Weighted residual factors for all reflections included in the refinement | 0.174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.97625 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284683 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2312134 via cif-deposit CGI script. |
2312134.cif 2312134.hkl |
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.