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Information card for entry 1565847
Preview
| Coordinates | 1565847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H53 Cl9 Cs O10 |
|---|---|
| Calculated formula | C55 H53 Cl9 Cs O10 |
| Title of publication | Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) |
| Authors of publication | Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok |
| Journal of publication | IUCrJ |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 43 - 48 |
| a | 13.1773 ± 0.0015 Å |
| b | 20.344 ± 0.002 Å |
| c | 22.581 ± 0.003 Å |
| α | 90° |
| β | 106.172 ± 0.003° |
| γ | 90° |
| Cell volume | 5814 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0736 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271673 (current) | 2022-01-01 | cif/ Adding structures of 1565846, 1565847, 1565848 via cif-deposit CGI script. |
1565847.cif |
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Users of the data should acknowledge the original authors of the
structural data.