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Information card for entry 7224816
Preview
| Coordinates | 7224816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H80 N4 O6 |
|---|---|
| Calculated formula | C60 H80 N4 O6 |
| Title of publication | Synthesis, structure and conformational mobility of tetra-substituted cyanomethoxy p-tert-butylcalix[4]arenes |
| Authors of publication | D'Alessio, Daniel; Krause-Heuer, Answen M; Skelton, Brian W.; Fraser, Benjamin Hugh; Massi, Massimiliano; Ogden, Mark Ian |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 21.0623 ± 0.0005 Å |
| b | 21.8364 ± 0.0003 Å |
| c | 25.8796 ± 0.0005 Å |
| α | 90° |
| β | 109.896 ± 0.002° |
| γ | 90° |
| Cell volume | 11192.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.1463 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181508 (current) | 2016-04-05 | cif/ Adding structures of 7224815, 7224816, 7224817, 7224818, 7224819 via cif-deposit CGI script. |
7224816.cif |
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Users of the data should acknowledge the original authors of the
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