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Information card for entry 7249722
Preview
| Coordinates | 7249722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H12 Cl N |
|---|---|
| Calculated formula | C8 H12 Cl N |
| Title of publication | Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride |
| Authors of publication | Tashiro, Shohei |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 729 - 735 |
| a | 21.7201 ± 0.0011 Å |
| b | 21.7201 ± 0.0011 Å |
| c | 4.8629 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1986.78 ± 0.19 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298203 (current) | 2025-03-04 | cif/ Updating files of 7249722 Original log message: Adding full bibliography for 7249722.cif. |
7249722.cif |
| 296984 | 2024-12-28 | cif/ Adding structures of 7249722 via cif-deposit CGI script. |
7249722.cif |
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Users of the data should acknowledge the original authors of the
structural data.