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Information card for entry 1557867
Preview
| Coordinates | 1557867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H60 In N3 O |
|---|---|
| Calculated formula | C45 H60 In N3 O |
| SMILES | [In]12(Oc3c(C(c4ccccc4)(C)C)cc(cc3C=[N]2[C@H]2CCCC[C@@H]2[NH]1Cc1ncccc1)C(c1ccccc1)(C)C)(CC(C)C)CC(C)C.[In]12(Oc3c(C(c4ccccc4)(C)C)cc(cc3C=[N]2[C@@H]2CCCC[C@H]2[NH]1Cc1ncccc1)C(c1ccccc1)(C)C)(CC(C)C)CC(C)C |
| Title of publication | Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands |
| Authors of publication | Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 25 |
| Pages of publication | 6485 - 6491 |
| a | 18.3804 ± 0.0016 Å |
| b | 13.9887 ± 0.0012 Å |
| c | 18.328 ± 0.002 Å |
| α | 90° |
| β | 119.839 ± 0.002° |
| γ | 90° |
| Cell volume | 4087.7 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257337 (current) | 2020-10-06 | cif/ Updating files of 1557864, 1557865, 1557866, 1557867, 1557868 Original log message: Adding full bibliography for 1557864--1557868.cif. |
1557867.cif |
| 253841 | 2020-07-06 | cif/ Updating files of 1557864, 1557865, 1557866, 1557867, 1557868 Original log message: Adding full bibliography for 1557864--1557868.cif. |
1557867.cif |
| 251062 | 2020-04-23 | cif/ Adding structures of 1557864, 1557865, 1557866, 1557867, 1557868 via cif-deposit CGI script. |
1557867.cif |
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