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Information card for entry 1565346
Preview
| Coordinates | 1565346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H78 N O12 |
|---|---|
| Calculated formula | C76 H78 N O12 |
| 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 | 20.0678 ± 0.0001 Å |
| b | 15.8911 ± 0.0001 Å |
| c | 25.6047 ± 0.0002 Å |
| α | 90° |
| β | 108.962 ± 0.001° |
| γ | 90° |
| Cell volume | 7722.23 ± 0.1 Å3 |
| Cell temperature | 170 ± 0.13 K |
| Ambient diffraction temperature | 170 ± 0.13 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1867 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
1565346.cif |
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Users of the data should acknowledge the original authors of the
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