Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566094
Preview
| Coordinates | 1566094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40.62 H37.25 B N7 O4 Zn |
|---|---|
| Calculated formula | C40.622 H37.247 B N7 O4 Zn |
| Title of publication | Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition |
| Authors of publication | Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 11.6546 ± 0.0009 Å |
| b | 14.6697 ± 0.0011 Å |
| c | 21.3858 ± 0.0017 Å |
| α | 90° |
| β | 97.912 ± 0.003° |
| γ | 90° |
| Cell volume | 3621.5 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272194 (current) | 2022-01-22 | cif/ Adding structures of 1566091, 1566092, 1566093, 1566094, 1566095, 1566096, 1566097, 1566098, 1566099, 1566100, 1566101, 1566102 via cif-deposit CGI script. |
1566094.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.