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Information card for entry 4518871
Preview
| Coordinates | 4518871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 N O4 |
|---|---|
| Calculated formula | C22 H17 N O4 |
| Title of publication | Gold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates |
| Authors of publication | Medina-Mercado, Ignacio; Colin-Molina, Abraham; Barquera-Lozada, José Enrique; Rodríguez-Molina, Braulio; Porcel, Susana |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 8968 - 8977 |
| a | 6.2331 ± 0.0009 Å |
| b | 10.6409 ± 0.0016 Å |
| c | 14.154 ± 0.002 Å |
| α | 100.755 ± 0.004° |
| β | 94.852 ± 0.003° |
| γ | 105.369 ± 0.003° |
| Cell volume | 880.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.2369 |
| Residual factor for significantly intense reflections | 0.0819 |
| Weighted residual factors for significantly intense reflections | 0.1567 |
| Weighted residual factors for all reflections included in the refinement | 0.2115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267403 (current) | 2021-07-09 | cif/ Adding structures of 4518871 via cif-deposit CGI script. |
4518871.cif |
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