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Information card for entry 1540488
Preview
| Coordinates | 1540488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H47 Cl5 F6 O5 P3 Pd |
|---|---|
| Calculated formula | C35 H47 Cl5 F6 O5 P3 Pd |
| Title of publication | Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide–palladium catalysts |
| Authors of publication | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 737 |
| a | 11.521 ± 0.003 Å |
| b | 16.475 ± 0.004 Å |
| c | 22.564 ± 0.006 Å |
| α | 90° |
| β | 99.836 ± 0.004° |
| γ | 90° |
| Cell volume | 4219.9 ± 1.9 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 7 |
| 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1488 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1540488.cif |
| 175917 | 2016-02-04 | cif/ Updating files of 1540485, 1540486, 1540487, 1540488, 1540489 Original log message: Adding full bibliography for 1540485--1540489.cif. |
1540488.cif |
| 169998 | 2015-11-04 | cif/ Adding structures of 1540485, 1540486, 1540487, 1540488, 1540489 via cif-deposit CGI script. |
1540488.cif |
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Users of the data should acknowledge the original authors of the
structural data.