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Information card for entry 1553596
Preview
| Coordinates | 1553596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54.83 H62.12 Cl1.76 N16.83 O2 |
|---|---|
| Calculated formula | C54.824 H62.12 Cl1.764 N16.824 O2 |
| Title of publication | Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule |
| Authors of publication | Zhang, Qian; Wang, Mei-Xiang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | 283 |
| a | 28.402 ± 0.006 Å |
| b | 9.816 ± 0.002 Å |
| c | 18.722 ± 0.004 Å |
| α | 90° |
| β | 90.7 ± 0.03° |
| γ | 90° |
| Cell volume | 5219.2 ± 1.9 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.2196 |
| Weighted residual factors for all reflections included in the refinement | 0.2259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235183 (current) | 2019-11-23 | cif/ Adding structures of 1553595, 1553596, 1553597 via cif-deposit CGI script. |
1553596.cif |
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