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Information card for entry 1553441
Preview
| Coordinates | 1553441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H64 O24 |
|---|---|
| Calculated formula | C71 H64 O24 |
| Title of publication | Tetramethoxy-bay-substituted perylene bisimides by copper-mediated cross-coupling |
| Authors of publication | Leowanawat, Pawaret; Nowak-Król, Agnieszka; Würthner, Frank |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 5 |
| Pages of publication | 537 |
| a | 19.7803 ± 0.0006 Å |
| b | 8.925 ± 0.0003 Å |
| c | 17.1219 ± 0.0005 Å |
| α | 90° |
| β | 93.062 ± 0.001° |
| γ | 90° |
| Cell volume | 3018.37 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234997 (current) | 2019-11-23 | cif/ Adding structures of 1553441 via cif-deposit CGI script. |
1553441.cif |
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Users of the data should acknowledge the original authors of the
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