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Information card for entry 7160815
Preview
| Coordinates | 7160815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H98 Au2 N6 O2 |
|---|---|
| Calculated formula | C80 H98 Au2 N6 O2 |
| Title of publication | Digold photosensitizer for visible light [2+2] cycloaddition and E/Z isomerization reactions |
| Authors of publication | Ruggiero, Tommaso; Fortwengler, James; Van Hecke, Kristof; Thompson, Mark; Heugebaert, Thomas; Nolan, Steven P. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 13.2 ± 0.0002 Å |
| b | 15.005 ± 0.0002 Å |
| c | 18.9581 ± 0.0003 Å |
| α | 87.004 ± 0.001° |
| β | 75.633 ± 0.002° |
| γ | 82.273 ± 0.001° |
| Cell volume | 3603.8 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302964 (current) | 2025-10-18 | cif/ Adding structures of 7160815 via cif-deposit CGI script. |
7160815.cif |
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Users of the data should acknowledge the original authors of the
structural data.