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Information card for entry 1558274
Preview
| Coordinates | 1558274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H28 B F4 N2 O2.5 |
|---|---|
| Calculated formula | C21 H28 B F4 N2 O2.5 |
| Title of publication | Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield |
| Authors of publication | Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 8.0721 ± 0.0002 Å |
| b | 15.6353 ± 0.0005 Å |
| c | 16.4422 ± 0.0005 Å |
| α | 90° |
| β | 98.2832 ± 0.0014° |
| γ | 90° |
| Cell volume | 2053.52 ± 0.1 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253052 (current) | 2020-06-10 | cif/ Adding structures of 1558274, 1558275 via cif-deposit CGI script. |
1558274.cif |
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