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Information card for entry 7160659
Preview
| Coordinates | 7160659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C236 H224 Cl4 N28 O40 Zn4 |
|---|---|
| Calculated formula | C236 H224 Cl4 N28 O40 Zn4 |
| Title of publication | Interplay between Molecular Recognition and Acid-Base Reactivity in Tailored Metal-Based Calix[6]arene Receptors |
| Authors of publication | Lepeintre, Martin; Višnjevac, Aleksandar; Jabin, Ivan; Colasson, Benoit |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 26.685 ± 0.005 Å |
| b | 39.811 ± 0.008 Å |
| c | 24.924 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 26478 ± 9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 68 |
| Hermann-Mauguin space group symbol | C c c a :2 |
| Hall space group symbol | -C 2a 2ac |
| Residual factor for all reflections | 0.1194 |
| Residual factor for significantly intense reflections | 0.1025 |
| Weighted residual factors for significantly intense reflections | 0.3304 |
| Weighted residual factors for all reflections included in the refinement | 0.3577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.452 |
| Diffraction radiation wavelength | 0.61994 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301686 (current) | 2025-08-08 | cif/ Adding structures of 7160658, 7160659, 7160660 via cif-deposit CGI script. |
7160659.cif |
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