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Information card for entry 7132141
Preview
| Coordinates | 7132141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H87 Cl2 N8 O7.5 |
|---|---|
| Calculated formula | C74 H80 N8 O6 |
| 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 | 13.3834 ± 0.0002 Å |
| b | 15.0836 ± 0.0002 Å |
| c | 17.548 ± 0.0002 Å |
| α | 106.627 ± 0.001° |
| β | 96.533 ± 0.001° |
| γ | 91.825 ± 0.001° |
| Cell volume | 3364.53 ± 0.08 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 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 | 0.0667 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
7132141.cif |
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