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Information card for entry 1571315
Preview
| Coordinates | 1571315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C220 H264 N6 O21 |
|---|---|
| Calculated formula | C176 H176 N6 O10 |
| Title of publication | Programmable synthesis of organic cages with reduced symmetry. |
| Authors of publication | Andrews, Keith G.; Horton, Peter N.; Coles, Simon J. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 17 |
| Pages of publication | 6536 - 6543 |
| a | 22.249 ± 0.001 Å |
| b | 42.9082 ± 0.0014 Å |
| c | 23.6046 ± 0.0004 Å |
| α | 90° |
| β | 92.591 ± 0.003° |
| γ | 90° |
| Cell volume | 22511.4 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1168 |
| Residual factor for significantly intense reflections | 0.0879 |
| Weighted residual factors for significantly intense reflections | 0.2385 |
| Weighted residual factors for all reflections included in the refinement | 0.272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291556 (current) | 2024-05-05 | cif/ Updating files of 1571314, 1571315, 1571316 Original log message: Adding full bibliography for 1571314--1571316.cif. |
1571315.cif |
| 290717 | 2024-04-02 | cif/ Adding structures of 1571314, 1571315, 1571316 via cif-deposit CGI script. |
1571315.cif |
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Users of the data should acknowledge the original authors of the
structural data.