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Information card for entry 1568218
Preview
| Coordinates | 1568218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 N3 O2 Pd |
|---|---|
| Calculated formula | C19 H19 N3 O2 Pd |
| Title of publication | Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates. |
| Authors of publication | Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R. |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 4 |
| Pages of publication | 955 - 962 |
| a | 7.975 ± 0.0006 Å |
| b | 16.4265 ± 0.001 Å |
| c | 13.4165 ± 0.0007 Å |
| α | 90° |
| β | 103.052 ± 0.006° |
| γ | 90° |
| Cell volume | 1712.17 ± 0.19 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1102 |
| Residual factor for significantly intense reflections | 0.0787 |
| Weighted residual factors for significantly intense reflections | 0.1951 |
| Weighted residual factors for all reflections included in the refinement | 0.2328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| 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 |
|---|---|---|---|
| 281362 (current) | 2023-03-04 | cif/ Updating files of 1568218, 1568219, 1568220 Original log message: Adding full bibliography for 1568218--1568220.cif. |
1568218.cif |
| 280108 | 2023-01-05 | cif/ Adding structures of 1568218, 1568219, 1568220 via cif-deposit CGI script. |
1568218.cif |
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Users of the data should acknowledge the original authors of the
structural data.