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Information card for entry 4087900
Preview
| Coordinates | 4087900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H116 O8 P6 Pd2 |
|---|---|
| Calculated formula | C62 H116 O8 P6 Pd2 |
| Title of publication | Mechanistic Studies on the Palladium-Catalyzed Cross Dehydrogenative Coupling of P(O)‒H Compounds with Terminal Alkynes: Stereochemistry and Reactive Intermediates |
| Authors of publication | Yang, Jia; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 20 |
| Pages of publication | 5095 |
| a | 9.2403 ± 0.0007 Å |
| b | 28.012 ± 0.002 Å |
| c | 14.0756 ± 0.001 Å |
| α | 90° |
| β | 96.217 ± 0.003° |
| γ | 90° |
| Cell volume | 3621.9 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237101 (current) | 2019-11-24 | cif/ Adding structures of 4087900 via cif-deposit CGI script. |
4087900.cif |
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Users of the data should acknowledge the original authors of the
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