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Information card for entry 1565345
Preview
| Coordinates | 1565345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H96 O14 |
|---|---|
| Calculated formula | C84 H96 O14 |
| Title of publication | Adsorptive Separation of Cyclohexanol and Cyclohexanone by Nonporous Adaptive Crystals of RhombicArene |
| Authors of publication | Zhao, Yong-Ye; xiao, hongyan; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 13.7152 ± 0.0001 Å |
| b | 15.9459 ± 0.0001 Å |
| c | 18.6299 ± 0.0001 Å |
| α | 90° |
| β | 103.711 ± 0.001° |
| γ | 90° |
| Cell volume | 3958.28 ± 0.05 Å3 |
| Cell temperature | 170 ± 0.12 K |
| Ambient diffraction temperature | 170 ± 0.12 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270814 (current) | 2021-11-23 | cif/ Adding structures of 1565345, 1565346 via cif-deposit CGI script. |
1565345.cif |
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Users of the data should acknowledge the original authors of the
structural data.