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Information card for entry 1547369
Preview
| Coordinates | 1547369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C170 H155.5 N18 O3 |
|---|---|
| Calculated formula | C170 H155.5 N18 O3 |
| Title of publication | Template-directed self-assembly of dynamic covalent capsules with polar interiors |
| Authors of publication | Galan, Albano; Escudero, Eduardo Carmelo; Ballester, Pablo |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 13.6872 ± 0.0016 Å |
| b | 22.135 ± 0.003 Å |
| c | 24.856 ± 0.003 Å |
| α | 90° |
| β | 94.046 ± 0.004° |
| γ | 90° |
| Cell volume | 7511.8 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2986 |
| Residual factor for significantly intense reflections | 0.1397 |
| Weighted residual factors for significantly intense reflections | 0.2872 |
| Weighted residual factors for all reflections included in the refinement | 0.3541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.328 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201329 (current) | 2017-09-27 | cif/ Adding structures of 1547369 via cif-deposit CGI script. |
1547369.cif |
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Users of the data should acknowledge the original authors of the
structural data.