Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021005
Preview
| Coordinates | 2021005.cif |
|---|---|
| Structure factors | 2021005.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-{[1-(1-<i>tert</i>-Butoxycarbonyl)-<i>L</i>-prolyl]amino}terephthalic acid 2.24-hydrate |
|---|---|
| Formula | C18 H26.48 N2 O9.24 |
| Calculated formula | C18 H26.48 N2 O9.24 |
| Title of publication | Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns |
| Authors of publication | Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V. |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| a | 16.3993 ± 0.0012 Å |
| b | 12.5755 ± 0.0011 Å |
| c | 21.2196 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4376.1 ± 0.6 Å3 |
| Cell temperature | 295 ± 1 K |
| Ambient diffraction temperature | 295 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Goodness-of-fit parameter for all reflections | 1.4151 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.399962 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206449 (current) | 2018-02-15 | cif/ hkl/ Adding structures of 2021005, 2021006, 2021007, 2021008 via cif-deposit CGI script. |
2021005.cif 2021005.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.