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Information card for entry 4132172
Preview
| Coordinates | 4132172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H24 Cl N2 O3 Pd |
|---|---|
| Calculated formula | C27 H24 Cl N2 O3 Pd |
| Title of publication | C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis. |
| Authors of publication | Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 17 |
| Pages of publication | 5805 - 5813 |
| a | 10.0696 ± 0.0006 Å |
| b | 10.1472 ± 0.0007 Å |
| c | 11.9906 ± 0.0007 Å |
| α | 110.579 ± 0.002° |
| β | 96.643 ± 0.002° |
| γ | 90.227 ± 0.002° |
| Cell volume | 1137.98 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242200 (current) | 2019-11-26 | cif/ Adding structures of 4132172 via cif-deposit CGI script. |
4132172.cif |
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