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Information card for entry 7247783
Preview
| Coordinates | 7247783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 F3 N3 O2 |
|---|---|
| Calculated formula | C23 H26 F3 N3 O2 |
| Title of publication | Polymorphism of amantadinium niflumate |
| Authors of publication | Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 48 |
| Pages of publication | 6748 - 6757 |
| a | 16.953 ± 0.006 Å |
| b | 6.359 ± 0.003 Å |
| c | 20.573 ± 0.006 Å |
| α | 90° |
| β | 108.29 ± 0.03° |
| γ | 90° |
| Cell volume | 2105.8 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288799 (current) | 2024-01-06 | cif/ Updating files of 7247782, 7247783 Original log message: Adding full bibliography for 7247782--7247783.cif. |
7247783.cif |
| 287763 | 2023-11-24 | cif/ Adding structures of 7247782, 7247783 via cif-deposit CGI script. |
7247783.cif |
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Users of the data should acknowledge the original authors of the
structural data.