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Information card for entry 7132140
Preview
| Coordinates | 7132140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H72 N8 O2 |
|---|---|
| Calculated formula | C70 H72 N8 O2 |
| Title of publication | Zipping up Tetraazaperylene: Synthesis of Tetraazacoronenes via Double Coupling in the Bay Positions |
| Authors of publication | Eichelmann, Robert; Rippel, Daniel; Ballmann, Joachim; Gade, Lutz H. |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 15.5792 ± 0.0004 Å |
| b | 18.964 ± 0.0005 Å |
| c | 21.4149 ± 0.0005 Å |
| α | 72.501 ± 0.002° |
| β | 78.358 ± 0.002° |
| γ | 71.564 ± 0.002° |
| Cell volume | 5684.5 ± 0.3 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1746 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2339 |
| Weighted residual factors for all reflections included in the refinement | 0.2852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| 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 |
|---|---|---|---|
| 286389 (current) | 2023-09-19 | cif/ Adding structures of 7132140, 7132141 via cif-deposit CGI script. |
7132140.cif |
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Users of the data should acknowledge the original authors of the
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