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Information card for entry 7249002
Preview
| Coordinates | 7249002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H9 B F8 N4 O2 |
|---|---|
| Calculated formula | C22 H9 B F8 N4 O2 |
| Title of publication | Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition |
| Authors of publication | Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 30 |
| Pages of publication | 4017 - 4021 |
| a | 6.2144 ± 0.0012 Å |
| b | 7.2948 ± 0.0013 Å |
| c | 11.7785 ± 0.0017 Å |
| α | 81.392 ± 0.013° |
| β | 77.89 ± 0.015° |
| γ | 85.14 ± 0.016° |
| Cell volume | 515.4 ± 0.16 Å3 |
| Cell temperature | 99.9 ± 0.5 K |
| Ambient diffraction temperature | 99.9 ± 0.5 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/7249002.html
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