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Information card for entry 1550424
Preview
| Coordinates | 1550424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H50 Cl8 N8 O6 |
|---|---|
| Calculated formula | C62 H50 Cl8 N8 O6 |
| Title of publication | Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives |
| Authors of publication | Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.5459 ± 0.0006 Å |
| b | 10.8943 ± 0.0007 Å |
| c | 14.704 ± 0.001 Å |
| α | 77.534 ± 0.006° |
| β | 84.269 ± 0.005° |
| γ | 68.203 ± 0.006° |
| Cell volume | 1386.03 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0617 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212915 (current) | 2019-01-11 | cif/ Adding structures of 1550421, 1550422, 1550423, 1550424, 1550425, 1550426, 1550427 via cif-deposit CGI script. |
1550424.cif |
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Users of the data should acknowledge the original authors of the
structural data.