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Information card for entry 7130561
Preview
| Coordinates | 7130561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H34 O2 |
|---|---|
| Calculated formula | C48 H34 O2 |
| SMILES | O1c2c(c3ccccc3cc2)c2c3ccccc3ccc2OCc2c(/C(=C(/c3ccccc3)c3c(C1)cccc3)c1ccccc1)cccc2 |
| Title of publication | Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence |
| Authors of publication | Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 10.2979 ± 0.0005 Å |
| b | 17.4037 ± 0.001 Å |
| c | 17.5627 ± 0.0009 Å |
| α | 69.825 ± 0.002° |
| β | 80.955 ± 0.002° |
| γ | 81.076 ± 0.002° |
| Cell volume | 2900.4 ± 0.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1391 |
| Residual factor for significantly intense reflections | 0.1096 |
| Weighted residual factors for significantly intense reflections | 0.3006 |
| Weighted residual factors for all reflections included in the refinement | 0.3364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277323 (current) | 2022-08-20 | cif/ Adding structures of 7130558, 7130559, 7130560, 7130561 via cif-deposit CGI script. |
7130561.cif |
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Users of the data should acknowledge the original authors of the
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