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Information card for entry 1552021
Preview
| Coordinates | 1552021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H47 Br F O P Pd S |
|---|---|
| Calculated formula | C37 H47 Br F O P Pd S |
| SMILES | [Pd]1(Br)([S](=O)(c2c(c3c1cccc3)c(F)ccc2)c1ccc(cc1)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle |
| Authors of publication | Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa |
| Journal of publication | Nature Chemistry |
| Year of publication | 2016 |
| Journal volume | 8 |
| Pages of publication | 860 - 866 |
| a | 10.7048 ± 0.0008 Å |
| b | 10.2381 ± 0.0008 Å |
| c | 30.816 ± 0.002 Å |
| α | 90° |
| β | 92.257 ± 0.002° |
| γ | 90° |
| Cell volume | 3374.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.074 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.232 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216830 (current) | 2019-07-08 | cif/ Adding structures of 1552021 via cif-deposit CGI script. |
1552021.cif |
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Users of the data should acknowledge the original authors of the
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