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Information card for entry 1558529
Preview
| Coordinates | 1558529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MFF-4 |
|---|---|
| Formula | C144 H150 Cu4 N14 O74 |
| Calculated formula | C144 H150 Cu4 N14 O74 |
| Title of publication | A Covalent Organic Cage Compound Acting as a Supramolecular Shadow Mask for the Regioselective Functionalization of C60 |
| Authors of publication | Leonhardt, Viktoria; Fimmel, Stefanie; Krause, Ana-Maria; Beuerle, Florian |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 12.865 ± 0.0004 Å |
| b | 16.2889 ± 0.0005 Å |
| c | 20.1106 ± 0.0006 Å |
| α | 111.308 ± 0.001° |
| β | 101.254 ± 0.001° |
| γ | 90.736 ± 0.001° |
| Cell volume | 3834.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0812 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1916 |
| Weighted residual factors for all reflections included in the refinement | 0.2064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254095 (current) | 2020-07-08 | cif/ Adding structures of 1558529 via cif-deposit CGI script. |
1558529.cif |
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