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Information card for entry 1566521
Preview
| Coordinates | 1566521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H86 Cl2 N6 O6 |
|---|---|
| Calculated formula | C64 H86 Cl2 N6 O6 |
| Title of publication | Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation |
| Authors of publication | Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 20.2894 ± 0.0006 Å |
| b | 20.2894 ± 0.0006 Å |
| c | 13.6577 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4869.1 ± 0.3 Å3 |
| Cell temperature | 120.01 K |
| Ambient diffraction temperature | 120.01 K |
| Number of distinct elements | 5 |
| Space group number | 144 |
| Hermann-Mauguin space group symbol | P 31 |
| Hall space group symbol | P 31 |
| Residual factor for all reflections | 0.1001 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.182 |
| Weighted residual factors for all reflections included in the refinement | 0.2123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273210 (current) | 2022-03-03 | cif/ Adding structures of 1566521, 1566522, 1566523 via cif-deposit CGI script. |
1566521.cif |
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Users of the data should acknowledge the original authors of the
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