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Information card for entry 7159855
Preview
| Coordinates | 7159855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 N3 O5 |
|---|---|
| Calculated formula | C31 H29 N3 O5 |
| Title of publication | A pyridine-<i>N</i>-oxide catenane for cation recognition. |
| Authors of publication | Barlow, Sean R.; Halcovitch, Nathan R.; Evans, Nicholas H. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 15 |
| Pages of publication | 3001 - 3008 |
| a | 14.6339 ± 0.0005 Å |
| b | 15.1689 ± 0.0005 Å |
| c | 16.0492 ± 0.0003 Å |
| α | 102.718 ± 0.002° |
| β | 111.425 ± 0.003° |
| γ | 105.578 ± 0.003° |
| Cell volume | 2986.6 ± 0.2 Å3 |
| Cell temperature | 139.9 ± 0.4 K |
| Ambient diffraction temperature | 139.9 ± 0.4 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1888 |
| Weighted residual factors for all reflections included in the refinement | 0.2141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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 |
|---|---|---|---|
| 291697 (current) | 2024-05-05 | cif/ Updating files of 7159855, 7159856 Original log message: Adding full bibliography for 7159855--7159856.cif. |
7159855.cif |
| 290604 | 2024-03-23 | cif/ Adding structures of 7159855, 7159856 via cif-deposit CGI script. |
7159855.cif |
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Users of the data should acknowledge the original authors of the
structural data.