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Information card for entry 2023324
Preview
| Coordinates | 2023324.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | <i>p</i>-Xylene@silicalite-1 |
|---|---|
| Chemical name | <i>p</i>-Xylene@silicalite-1 |
| Formula | C16 H20 O48 Si24 |
| Calculated formula | C16 H20 O48 Si24 |
| Title of publication | Crystal structure of p-xylene@silicalite-1 |
| Authors of publication | Hwang, In-Chul |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 1 |
| a | 20.128 ± 0.004 Å |
| b | 19.816 ± 0.004 Å |
| c | 13.429 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5356.2 ± 1.9 Å3 |
| Cell temperature | 243.15 K |
| Ambient diffraction temperature | 243.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296212 (current) | 2024-12-04 | cif/ Adding structures of 2023324 via cif-deposit CGI script. |
2023324.cif |
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