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Information card for entry 7134738
Preview
| Coordinates | 7134738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 N2 O4 |
|---|---|
| Calculated formula | C19 H16 N2 O4 |
| Title of publication | Palladium-catalysed carbonylation of aryl diazonium salts to access bioconjugation-ready esters |
| Authors of publication | Dash, Jyotirmayee; Paul, Pratap |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 6.0468 ± 0.0005 Å |
| b | 13.3298 ± 0.0011 Å |
| c | 19.6186 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1581.3 ± 0.2 Å3 |
| Cell temperature | 198 K |
| Ambient diffraction temperature | 198 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 | 0.0576 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300122 (current) | 2025-06-19 | cif/ Adding structures of 7134738 via cif-deposit CGI script. |
7134738.cif |
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Users of the data should acknowledge the original authors of the
structural data.