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Information card for entry 1556402
Preview
| Coordinates | 1556402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94.2 H108.4 F36 N14.1 O13.8 P6 |
|---|---|
| Calculated formula | C94.2 H108 F36 N14.1 O13.8 P6 |
| 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 | 13.9167 ± 0.0006 Å |
| b | 25.8857 ± 0.0009 Å |
| c | 30.7364 ± 0.0011 Å |
| α | 90° |
| β | 96.611 ± 0.003° |
| γ | 90° |
| Cell volume | 10999 ± 0.7 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1324 |
| Residual factor for significantly intense reflections | 0.1088 |
| Weighted residual factors for significantly intense reflections | 0.2863 |
| Weighted residual factors for all reflections included in the refinement | 0.3083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
1556402.cif |
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