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Information card for entry 7246214
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| Coordinates | 7246214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | PAA F4TCNQ |
|---|---|
| Formula | C70 H56 F2 N6 Si4 |
| Calculated formula | C70 H56 F2 N6 Si4 |
| Title of publication | Organic binary charge-transfer compounds of 2,2′ : 6′,2′′ : 6′′,6-trioxotriphenylamine and a pyrene-annulated azaacene as donors |
| Authors of publication | Das, Rajorshi; Linseis, Michael; Schupp, Stefan M.; Gogesch, Franciska S.; Schmidt-Mende, Lukas; Winter, Rainer F. |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 6 |
| Pages of publication | 3652 - 3660 |
| a | 26.921 ± 0.004 Å |
| b | 19.255 ± 0.002 Å |
| c | 25.544 ± 0.003 Å |
| α | 90° |
| β | 101.364 ± 0.012° |
| γ | 90° |
| Cell volume | 12981 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1707 |
| Residual factor for significantly intense reflections | 0.0835 |
| Weighted residual factors for significantly intense reflections | 0.172 |
| Weighted residual factors for all reflections included in the refinement | 0.2267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280688 (current) | 2023-01-31 | cif/ Adding structures of 7246214, 7246215, 7246216 via cif-deposit CGI script. |
7246214.cif |
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Users of the data should acknowledge the original authors of the
structural data.