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Information card for entry 1553513
Preview
| Coordinates | 1553513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H66 Cl2 N2 O4 |
|---|---|
| Calculated formula | C79 H66 Cl2 N2 O4 |
| Title of publication | A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides |
| Authors of publication | Seifert, Sabine; Schmidt, David; Würthner, Frank |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 11 |
| Pages of publication | 1435 |
| a | 13.3641 ± 0.0012 Å |
| b | 15.796 ± 0.0014 Å |
| c | 14.8901 ± 0.0013 Å |
| α | 90° |
| β | 112.839 ± 0.002° |
| γ | 90° |
| Cell volume | 2896.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235081 (current) | 2019-11-23 | cif/ Adding structures of 1553512, 1553513 via cif-deposit CGI script. |
1553513.cif |
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Users of the data should acknowledge the original authors of the
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