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Information card for entry 4519221
Preview
| Coordinates | 4519221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 |
|---|---|
| Calculated formula | C28 H20 |
| Title of publication | Palladium-Catalyzed [3 + 2] Annulation of Alkynes with Concomitant Aromatic Ring Expansion: A Concise Approach to (Pseudo)azulenes |
| Authors of publication | Zhou, Fulin; Shi, Weiming; Liao, Xingrong; Yang, Yudong; Yu, Zhi-Xiang; You, Jingsong |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 676 - 686 |
| a | 8.4176 ± 0.0005 Å |
| b | 10.9015 ± 0.0006 Å |
| c | 11.3672 ± 0.0007 Å |
| α | 110.376 ± 0.005° |
| β | 95.24 ± 0.005° |
| γ | 92.506 ± 0.005° |
| Cell volume | 970.56 ± 0.1 Å3 |
| Cell temperature | 291.4 ± 0.7 K |
| Ambient diffraction temperature | 291.4 ± 0.7 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1746 |
| Weighted residual factors for all reflections included in the refinement | 0.1885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271717 (current) | 2022-01-03 | cif/ Adding structures of 4519221 via cif-deposit CGI script. |
4519221.cif |
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Users of the data should acknowledge the original authors of the
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