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Information card for entry 7056226
Preview
| Coordinates | 7056226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3b |
|---|---|
| Formula | C56 H84 N12 O8 |
| Calculated formula | C56 H84 N12 O8 |
| 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 | 9.022 ± 0.0005 Å |
| b | 30.897 ± 0.002 Å |
| c | 22.709 ± 0.002 Å |
| α | 90° |
| β | 110.681 ± 0.003° |
| γ | 90° |
| Cell volume | 5922.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.319 |
| Residual factor for significantly intense reflections | 0.1173 |
| Weighted residual factors for significantly intense reflections | 0.2937 |
| Weighted residual factors for all reflections included in the refinement | 0.3704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7056226.cif |
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