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Information card for entry 1559193
Preview
| Coordinates | 1559193.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H41 Ir N O2 P |
|---|---|
| Calculated formula | C25 H41 Ir N O2 P |
| SMILES | c12c(ccc3c1[Ir]1([CH]4=[CH]1[C@@H]1CC[C@H]4C1)([N](C3)(CC)CC)[P](C(C)C)(C(C)C)O2)OC |
| Title of publication | Decarbonylative Ether Dissection by Iridium Pincer Complexes |
| Authors of publication | Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 9.6922 ± 0.0009 Å |
| b | 38.687 ± 0.004 Å |
| c | 13.5664 ± 0.0017 Å |
| α | 90° |
| β | 104.749 ± 0.009° |
| γ | 90° |
| Cell volume | 4919.3 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256750 (current) | 2020-09-25 | cif/ Adding structures of 1559193, 1559194, 1559195, 1559196 via cif-deposit CGI script. |
1559193.cif |
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Users of the data should acknowledge the original authors of the
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