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Information card for entry 4518870
Preview
| Coordinates | 4518870.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 | 5.9302 ± 0.0003 Å |
| b | 21.3945 ± 0.001 Å |
| c | 13.9168 ± 0.0006 Å |
| α | 90° |
| β | 95.871 ± 0.001° |
| γ | 90° |
| Cell volume | 1756.41 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1011 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267402 (current) | 2021-07-09 | cif/ Adding structures of 4518870 via cif-deposit CGI script. |
4518870.cif |
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Users of the data should acknowledge the original authors of the
structural data.