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Information card for entry 7224815
Preview
| Coordinates | 7224815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H60 N4 O4 |
|---|---|
| Calculated formula | C52 H60 N4 O4 |
| 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 | 14.6327 ± 0.0002 Å |
| b | 16.7338 ± 0.0002 Å |
| c | 37.5113 ± 0.0004 Å |
| α | 90° |
| β | 93.836 ± 0.001° |
| γ | 90° |
| Cell volume | 9164.46 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0774 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.141 |
| Weighted residual factors for all reflections included in the refinement | 0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| 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. |
7224815.cif |
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Users of the data should acknowledge the original authors of the
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