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Information card for entry 1553512
Preview
| Coordinates | 1553512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H31 Cl2 N O2 |
|---|---|
| Calculated formula | C40.999 H30.998 Cl1.998 N O2 |
| 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 | 9.1392 ± 0.0002 Å |
| b | 13.2716 ± 0.0003 Å |
| c | 13.7699 ± 0.0003 Å |
| α | 77.608 ± 0.001° |
| β | 76.026 ± 0.001° |
| γ | 84.909 ± 0.001° |
| Cell volume | 1581.79 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.2179 |
| Weighted residual factors for all reflections included in the refinement | 0.2253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1553512.cif |
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Users of the data should acknowledge the original authors of the
structural data.