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Information card for entry 7160572
Preview
| Coordinates | 7160572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H36 Cl F6 N3 O8 |
|---|---|
| Calculated formula | C30 H36 Cl F6 N3 O8 |
| Title of publication | Multifunctional supramolecular receptors: aqueous ion recognition, HCl sensing and cytotoxic potential |
| Authors of publication | Jagleniec, Damian; Sektas, Katarzyna; Dobrzycki, Łukasz; Ludwinek, Miłosz; Nasulewicz-Goldeman, Anna; Wietrzyk, Joanna; Romanski, Jan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 17.4573 ± 0.0007 Å |
| b | 8.6334 ± 0.0003 Å |
| c | 22.4641 ± 0.0008 Å |
| α | 90° |
| β | 103.894 ± 0.001° |
| γ | 90° |
| Cell volume | 3286.6 ± 0.2 Å3 |
| Cell temperature | 130 ± 0.5 K |
| Ambient diffraction temperature | 130 ± 0.5 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299916 (current) | 2025-06-03 | cif/ Adding structures of 7160572, 7160573 via cif-deposit CGI script. |
7160572.cif |
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Users of the data should acknowledge the original authors of the
structural data.