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Information card for entry 1556401
Preview
| Coordinates | 1556401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52.7 H72.25 F12 N9.1 O9.4 P2 |
|---|---|
| Calculated formula | C52.7 H67.5 F12 N9.1 O9.4 P2 |
| Title of publication | Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules |
| Authors of publication | Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 2 |
| Pages of publication | 167 |
| a | 31.9644 ± 0.0012 Å |
| b | 18.8421 ± 0.0007 Å |
| c | 19.9426 ± 0.0008 Å |
| α | 90° |
| β | 93.865 ± 0.003° |
| γ | 90° |
| Cell volume | 11983.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0948 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.1979 |
| Weighted residual factors for all reflections included in the refinement | 0.2139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244436 (current) | 2019-11-28 | cif/ Adding structures of 1556401, 1556402 via cif-deposit CGI script. |
1556401.cif |
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