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Information card for entry 7160628
Preview
| Coordinates | 7160628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H116 N8 O11.2 S2 |
|---|---|
| Calculated formula | C116 H116 N8 O11.2 S2 |
| Title of publication | Selective Recognition and Sensing of Biologically Important Phosphates Using Triptycene-Based Anion Receptors |
| Authors of publication | Kassir, Ahmad Farouk; Lupp, Daniel; Grabowski, Jakub; Granda, Jarosław M.; Jurczak, Janusz |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 15.7796 ± 0.0014 Å |
| b | 16.5721 ± 0.0015 Å |
| c | 20.6662 ± 0.0018 Å |
| α | 80.044 ± 0.002° |
| β | 79.078 ± 0.002° |
| γ | 71.2037 ± 0.0019° |
| Cell volume | 4986.9 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0696 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300302 (current) | 2025-07-03 | cif/ Adding structures of 7160628, 7160629 via cif-deposit CGI script. |
7160628.cif |
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Users of the data should acknowledge the original authors of the
structural data.