Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4126351
Preview
| Coordinates | 4126351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H23 N3 O4 |
|---|---|
| Calculated formula | C29 H23 N3 O4 |
| Title of publication | A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells. |
| Authors of publication | Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 10.0761 ± 0.0001 Å |
| b | 11.0325 ± 0.0001 Å |
| c | 12.3888 ± 0.0001 Å |
| α | 66.273 ± 0.001° |
| β | 88.093 ± 0.001° |
| γ | 64.57 ± 0.001° |
| Cell volume | 1122.3 ± 0.02 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1444 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4126351.cif |
| 200229 | 2017-09-07 | cif/ Adding structures of 4126351 via cif-deposit CGI script. |
4126351.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.