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Information card for entry 1571952
Preview
Coordinates | 1571952.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H23 N O2 S2 |
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Calculated formula | C28 H23 N O2 S2 |
Title of publication | How substituents tune quantum interference in meta-OPE3 molecular junctions to control thermoelectric transport. |
Authors of publication | Yan, Shen; Luan, Yuxuan; Xu, Hailiang; Fan, Hao; Martin, León; Gupta, Arvind Kumar; Linke, Heiner; Meyhofer, Edgar; Reddy, Pramod; Pauly, Fabian; Wärnmark, Kenneth |
Journal of publication | Nanoscale |
Year of publication | 2024 |
Journal volume | 16 |
Journal issue | 29 |
Pages of publication | 13905 - 13914 |
a | 8.6676 ± 0.0008 Å |
b | 10.309 ± 0.0008 Å |
c | 15.1742 ± 0.0013 Å |
α | 75.237 ± 0.007° |
β | 82.715 ± 0.007° |
γ | 71.385 ± 0.008° |
Cell volume | 1241 ± 0.2 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1609 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
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/1571952.html
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Users of the data should acknowledge the original authors of the
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