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Information card for entry 1573891
Preview
| Coordinates | 1573891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H26 F8 N2 O2 |
|---|---|
| Calculated formula | C38 H26 F8 N2 O2 |
| Title of publication | 1,4-Dihydropyrrolo[3,2-b]pyrrole modified with dibenzooxazepine: A Highly Efficient Core for Charge-Transfer-Based OLED Emitters |
| Authors of publication | Górski, Krzysztof; Shelton, Steven; Lingagouder, Jaijanarthanan; Data, Przemysław; Jacquemin, Denis; Gryko, Daniel T. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 9.4208 ± 0.0003 Å |
| b | 9.893 ± 0.0003 Å |
| c | 9.9488 ± 0.0003 Å |
| α | 87.466 ± 0.002° |
| β | 62.402 ± 0.002° |
| γ | 89.609 ± 0.002° |
| Cell volume | 820.83 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1118 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1297 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297708 (current) | 2025-02-13 | cif/ Adding structures of 1573891 via cif-deposit CGI script. |
1573891.cif |
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Users of the data should acknowledge the original authors of the
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