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Information card for entry 7246215
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| Coordinates | 7246215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TOTA F4BQ |
|---|---|
| Formula | C21 H9 F2 N O4 |
| Calculated formula | C21 H9 F2 N O4 |
| 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 | 9.0452 ± 0.0006 Å |
| b | 10.1512 ± 0.0007 Å |
| c | 10.1574 ± 0.0007 Å |
| α | 112.442 ± 0.005° |
| β | 94.726 ± 0.005° |
| γ | 115.784 ± 0.005° |
| Cell volume | 740.8 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.05 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7246215.cif |
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Users of the data should acknowledge the original authors of the
structural data.