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Information card for entry 1554523
Preview
| Coordinates | 1554523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H40 N6 O12 |
|---|---|
| Calculated formula | C30 H36 N6 O12.004 |
| Title of publication | Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water |
| Authors of publication | Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 75 |
| a | 27.337 ± 0.003 Å |
| b | 6.1593 ± 0.0004 Å |
| c | 20.343 ± 0.002 Å |
| α | 90° |
| β | 106.22 ± 0.01° |
| γ | 90° |
| Cell volume | 3288.9 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1386 |
| Weighted residual factors for all reflections included in the refinement | 0.1599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.807 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237310 (current) | 2019-11-24 | cif/ Adding structures of 1554523, 1554524, 1554525 via cif-deposit CGI script. |
1554523.cif |
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Users of the data should acknowledge the original authors of the
structural data.