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Information card for entry 7234536
Preview
| Coordinates | 7234536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H86 Cl4 O16 |
|---|---|
| Calculated formula | C78 H86 Cl4 O16 |
| Title of publication | A comparative evaluation of calix[4]arene-1,3-crown-6 as a ligand for selected divalent cations of radiopharmaceutical interest |
| Authors of publication | Bauer, David; Blumberg, Markus; Köckerling, Martin; Mamat, Constantin |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 55 |
| Pages of publication | 32357 |
| a | 10.0307 ± 0.0003 Å |
| b | 14.0336 ± 0.0005 Å |
| c | 12.5626 ± 0.0004 Å |
| α | 90° |
| β | 100.105 ± 0.001° |
| γ | 90° |
| Cell volume | 1740.97 ± 0.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219268 (current) | 2019-10-11 | cif/ Adding structures of 7234536 via cif-deposit CGI script. |
7234536.cif |
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Users of the data should acknowledge the original authors of the
structural data.