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Information card for entry 7160166
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| Coordinates | 7160166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ureido receptor, calix[4]arene |
|---|---|
| Chemical name | 4-{N?-(4-nitrophenyl)ureido}-25,26,27,28-tetrapropoxy-calix[4]arene (cone) |
| Formula | C49 H61 N3 O9 |
| Calculated formula | C49 H61 N3 O9 |
| Title of publication | Anion recognition using <i>meta</i>-substituted ureidocalix[4]arene receptors. |
| Authors of publication | Surina, A.; Čejka, J; Salvadori, K.; Lhoták, P |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 43 |
| Pages of publication | 8669 - 8678 |
| a | 9.3111 ± 0.0004 Å |
| b | 15.9194 ± 0.0007 Å |
| c | 16.2178 ± 0.0007 Å |
| α | 98.43 ± 0.002° |
| β | 106.068 ± 0.002° |
| γ | 95.002 ± 0.002° |
| Cell volume | 2264.31 ± 0.17 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 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 | 0.0633 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections | 0.1465 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.1462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296669 (current) | 2024-12-06 | cif/ Updating files of 7160166 Original log message: Adding full bibliography for 7160166.cif. |
7160166.cif |
| 295001 | 2024-10-03 | cif/ Adding structures of 7160166 via cif-deposit CGI script. |
7160166.cif |
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Users of the data should acknowledge the original authors of the
structural data.