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Information card for entry 7224440
Preview
| Coordinates | 7224440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H148 F24 N4 O24 P4 |
|---|---|
| Calculated formula | C128 H148 F24 N4 O24 P4 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC[n+]1ccc(c2cc[n+](CCOC)cc2)cc1)C.O(CC[n+]1ccc(c2cc[n+](CCOC)cc2)cc1)C.O1c2cc3C4(c5c(cccc5)C5(C)c3cc2OCCOCCOCCOCCOc2c(OCCOCCOCCOCC1)cc1c(c2)C2(C)c3ccccc3C1(C)c1cc3OCCOCCOCCOCCOc6cc4c5cc6OCCOCCOCCOCCOc3cc21)C.c12cccc3c2c(ccc1)c1cccc2cccc3c12 |
| Title of publication | Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons |
| Authors of publication | Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 26 |
| Pages of publication | 4900 |
| a | 16.467 ± 0.004 Å |
| b | 16.942 ± 0.005 Å |
| c | 26.1 ± 0.007 Å |
| α | 81.578 ± 0.009° |
| β | 83.78 ± 0.011° |
| γ | 85.515 ± 0.012° |
| Cell volume | 7146 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.23 |
| Residual factor for significantly intense reflections | 0.1657 |
| Weighted residual factors for significantly intense reflections | 0.38 |
| Weighted residual factors for all reflections included in the refinement | 0.4074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.656 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185187 (current) | 2016-08-07 | cif/ Updating files of 7224439, 7224440, 7224441, 7224442 Original log message: Adding full bibliography for 7224439--7224442.cif. |
7224440.cif |
| 177107 | 2016-03-02 | cif/ Adding structures of 7224439, 7224440, 7224441, 7224442 via cif-deposit CGI script. |
7224440.cif |
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Users of the data should acknowledge the original authors of the
structural data.