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Information card for entry 2023407
Preview
| Coordinates | 2023407.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-[1-(2,6-Difluorophenyl)-2-phenylethyl]pyrrolidin-1-ium chloride |
|---|---|
| Formula | C18 H20 Cl F2 N |
| Calculated formula | C18 H20 Cl F2 N |
| Title of publication | Synthesis and crystal structures of five fluorinated diphenidine derivatives. |
| Authors of publication | Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 3 |
| Pages of publication | 229 - 234 |
| a | 8.1365 ± 0.0004 Å |
| b | 12.7421 ± 0.001 Å |
| c | 16.0451 ± 0.0008 Å |
| α | 88.059 ± 0.005° |
| β | 82.349 ± 0.004° |
| γ | 86.14 ± 0.005° |
| Cell volume | 1644.42 ± 0.17 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.1033 |
| Residual factor for significantly intense reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.2001 |
| Weighted residual factors for all reflections included in the refinement | 0.2059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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