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Information card for entry 7123229
Preview
| Coordinates | 7123229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136 H188 Cl12 N8 O28 |
|---|---|
| Calculated formula | C136 H188 Cl12 N8 O28 |
| Title of publication | Strong positive allosteric cooperativity in ternary complexes based on hydrogen-bonded aromatic amide macrocycles |
| Authors of publication | Peng, Zhiyong; Guo, Xuwen; Xu, Weitao; Li, Jian; Deng, Pengchi; Xiao, Xin; Feng, Wen; Yuan, Lihua |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 27.2239 ± 0.0004 Å |
| b | 27.2239 ± 0.0004 Å |
| c | 20.9401 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15519.6 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.2018 |
| Residual factor for significantly intense reflections | 0.1642 |
| Weighted residual factors for significantly intense reflections | 0.3189 |
| Weighted residual factors for all reflections included in the refinement | 0.3339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214407 (current) | 2019-03-29 | cif/ Adding structures of 7123229 via cif-deposit CGI script. |
7123229.cif |
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