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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 |
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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 |
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The link is: https://www.crystallography.net/1552021.html
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