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Information card for entry 1571960
Preview
| Coordinates | 1571960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1AFC-An |
|---|---|
| Formula | C133 H115 N6 O12 |
| Calculated formula | C133 H115 N6 O12 |
| Title of publication | Structure-enabled long-lived charge separation in single crystals of an asymmetric donor-acceptor perylenediimide cyclophane. |
| Authors of publication | Williams, Malik L.; Coleman, Adam F.; Peinkofer, Kathryn R.; Young, Ryan M.; Wasielewski, Michael R. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 29 |
| Pages of publication | 11472 - 11479 |
| a | 22.4426 ± 0.0012 Å |
| b | 20.9039 ± 0.001 Å |
| c | 30.0536 ± 0.001 Å |
| α | 90° |
| β | 96.666 ± 0.004° |
| γ | 90° |
| Cell volume | 14004 ± 1.1 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.1341 |
| Residual factor for significantly intense reflections | 0.1055 |
| Weighted residual factors for significantly intense reflections | 0.3262 |
| Weighted residual factors for all reflections included in the refinement | 0.3502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.302 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293739 (current) | 2024-08-05 | cif/ Updating files of 1571960 Original log message: Adding full bibliography for 1571960.cif. |
1571960.cif |
| 292519 | 2024-06-22 | cif/ Adding structures of 1571960 via cif-deposit CGI script. |
1571960.cif |
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