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Information card for entry 1571316
Preview
| Coordinates | 1571316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C182 H230 N12 O31 |
|---|---|
| Calculated formula | C122 H110 N12 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 | 20.2715 ± 0.0006 Å |
| b | 42.387 ± 0.003 Å |
| c | 25.285 ± 0.0007 Å |
| α | 90° |
| β | 91.715 ± 0.002° |
| γ | 90° |
| Cell volume | 21716.4 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.1101 |
| Residual factor for significantly intense reflections | 0.0898 |
| Weighted residual factors for significantly intense reflections | 0.2452 |
| Weighted residual factors for all reflections included in the refinement | 0.2739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| 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. |
1571316.cif |
| 290717 | 2024-04-02 | cif/ Adding structures of 1571314, 1571315, 1571316 via cif-deposit CGI script. |
1571316.cif |
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Users of the data should acknowledge the original authors of the
structural data.