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Information card for entry 1552023
Preview
Coordinates | 1552023.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H14 Br F O S |
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Calculated formula | C19 H14 Br F O S |
SMILES | Brc1ccccc1c1c(F)cccc1S(=O)c1ccc(cc1)C |
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 | 7.3598 ± 0.0003 Å |
b | 14.3822 ± 0.0004 Å |
c | 15.5984 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1651.09 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0227 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for significantly intense reflections | 0.0481 |
Weighted residual factors for all reflections included in the refinement | 0.0491 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
216832 (current) | 2019-07-08 | cif/ Adding structures of 1552023 via cif-deposit CGI script. |
1552023.cif |
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