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Information card for entry 7118204
Preview
| Coordinates | 7118204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H96 F12 N2 O16 P2 |
|---|---|
| Calculated formula | C90 H96 F12 N2 O16 P2 |
| Title of publication | Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts. |
| Authors of publication | Han, Ying; Meng, Zheng; Chen, Chuan-Feng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 3 |
| Pages of publication | 590 - 593 |
| a | 13.799 ± 0.003 Å |
| b | 15.7 ± 0.003 Å |
| c | 22.416 ± 0.005 Å |
| α | 104.6 ± 0.03° |
| β | 96.36 ± 0.03° |
| γ | 107.93 ± 0.03° |
| Cell volume | 4377 ± 2 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2537 |
| Residual factor for significantly intense reflections | 0.1931 |
| Weighted residual factors for significantly intense reflections | 0.372 |
| Weighted residual factors for all reflections included in the refinement | 0.4032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.673 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171854 (current) | 2016-01-01 | cif/ Adding structures of 7118203, 7118204, 7118205, 7118206 via cif-deposit CGI script. |
7118204.cif |
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Users of the data should acknowledge the original authors of the
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