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Information card for entry 1555397
Preview
| Coordinates | 1555397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H73.33 N13 O12 |
|---|---|
| Calculated formula | C62 H73.38 N13 O12 |
| Title of publication | One-Pot Synthesis of Strained Macrocyclic Pyridone Hexamers and Their High Selectivity toward Cu(2+) Recognition. |
| Authors of publication | Ren, Changliang; Shen, Jie; Zeng, Huaqiang |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 5946 - 5949 |
| a | 20.9278 ± 0.0013 Å |
| b | 20.9278 ± 0.0013 Å |
| c | 11.7428 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4454 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0989 |
| Residual factor for significantly intense reflections | 0.0838 |
| Weighted residual factors for significantly intense reflections | 0.2494 |
| Weighted residual factors for all reflections included in the refinement | 0.2672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238607 (current) | 2019-11-24 | cif/ Adding structures of 1555397 via cif-deposit CGI script. |
1555397.cif |
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Users of the data should acknowledge the original authors of the
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