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Information card for entry 7056227
Preview
| Coordinates | 7056227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C185 H304 N36 O33 S9 |
|---|---|
| Calculated formula | C185 H304 N36 O33 S9 |
| Title of publication | Straighforward Metal-Free Synthesis of an Azacalix[6]arene Forming a Host-Guest Complex with Fullerene C60 |
| Authors of publication | Canard, Gabriel; Jacquemin, Denis; SIRI, Olivier; Azarias, Cloé; Chen, Zhongrui |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 14.8072 ± 0.0005 Å |
| b | 41.1391 ± 0.0012 Å |
| c | 34.898 ± 0.002 Å |
| α | 90° |
| β | 95.387 ± 0.005° |
| γ | 90° |
| Cell volume | 21164.4 ± 1.5 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2692 |
| Residual factor for significantly intense reflections | 0.167 |
| Weighted residual factors for significantly intense reflections | 0.4174 |
| Weighted residual factors for all reflections included in the refinement | 0.4808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.286 |
| 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 |
|---|---|---|---|
| 196933 (current) | 2017-05-24 | cif/ Adding structures of 7056226, 7056227 via cif-deposit CGI script. |
7056227.cif |
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Users of the data should acknowledge the original authors of the
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