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Information card for entry 7242952
Preview
| Coordinates | 7242952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H86 N36 O20 |
|---|---|
| Calculated formula | C86 H86 N36 O20 |
| Title of publication | Self-assembled, optically-active {naphthalene diimide}U{cucurbit[8]uril} ensembles in an aqueous environment |
| Authors of publication | Higginbotham, Heather; Maniam, Subashani; Hsia, Tina; Isaacs, Lyle D.; Langford, Steven J.; Bell, Toby D. M. |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 14.3621 ± 0.0011 Å |
| b | 24.1237 ± 0.0015 Å |
| c | 27.1906 ± 0.0018 Å |
| α | 90° |
| β | 98.023 ± 0.007° |
| γ | 90° |
| Cell volume | 9328.4 ± 1.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1844 |
| Residual factor for significantly intense reflections | 0.133 |
| Weighted residual factors for significantly intense reflections | 0.3416 |
| Weighted residual factors for all reflections included in the refinement | 0.3728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265702 (current) | 2021-06-03 | cif/ Adding structures of 7242952 via cif-deposit CGI script. |
7242952.cif |
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Users of the data should acknowledge the original authors of the
structural data.