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Information card for entry 4519252
Preview
| Coordinates | 4519252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 F6 N2 O6 |
|---|---|
| Calculated formula | C20 H14 F6 N2 O6 |
| Title of publication | Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations |
| Authors of publication | Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 51 |
| Pages of publication | 35649 - 35656 |
| a | 10.344 ± 0.0009 Å |
| b | 10.419 ± 0.0011 Å |
| c | 10.58 ± 0.0011 Å |
| α | 92.229 ± 0.007° |
| β | 102.919 ± 0.006° |
| γ | 103.078 ± 0.006° |
| Cell volume | 1077.74 ± 0.19 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 | 0.0798 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.2027 |
| Weighted residual factors for all reflections included in the refinement | 0.2128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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 |
|---|---|---|---|
| 271747 (current) | 2022-01-03 | cif/ Adding structures of 4519252 via cif-deposit CGI script. |
4519252.cif |
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Users of the data should acknowledge the original authors of the
structural data.