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Information card for entry 1566543
Preview
| Coordinates | 1566543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C280 H320 N32 O40 |
|---|---|
| Calculated formula | C192 H104 N24 O32 |
| Title of publication | Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis |
| Authors of publication | Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 28.4101 ± 0.0012 Å |
| b | 30.2731 ± 0.0013 Å |
| c | 32.7364 ± 0.0015 Å |
| α | 82.444 ± 0.004° |
| β | 81.795 ± 0.004° |
| γ | 63.273 ± 0.004° |
| Cell volume | 24818 ± 2 Å3 |
| Cell temperature | 100 ± 0.13 K |
| Ambient diffraction temperature | 100 ± 0.13 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.35 |
| Residual factor for significantly intense reflections | 0.2292 |
| Weighted residual factors for significantly intense reflections | 0.4808 |
| Weighted residual factors for all reflections included in the refinement | 0.5579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.377 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273290 (current) | 2022-03-04 | cif/ Adding structures of 1566542, 1566543 via cif-deposit CGI script. |
1566543.cif |
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Users of the data should acknowledge the original authors of the
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