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Information card for entry 7241819
Preview
| Coordinates | 7241819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H78 N O35 |
|---|---|
| Calculated formula | C71 H63 N O35 |
| Title of publication | Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives |
| Authors of publication | Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 5 |
| Pages of publication | 1075 - 1082 |
| a | 12.9186 ± 0.0005 Å |
| b | 13.6147 ± 0.0006 Å |
| c | 21.739 ± 0.0008 Å |
| α | 89.925 ± 0.003° |
| β | 81.101 ± 0.003° |
| γ | 76.021 ± 0.003° |
| Cell volume | 3663 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.12 |
| Residual factor for significantly intense reflections | 0.1055 |
| Weighted residual factors for significantly intense reflections | 0.2839 |
| Weighted residual factors for all reflections included in the refinement | 0.2965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262569 (current) | 2021-03-05 | cif/ Updating files of 7241819, 7241820, 7241821, 7241822 Original log message: Adding full bibliography for 7241819--7241822.cif. |
7241819.cif |
| 259858 | 2020-12-13 | cif/ Adding structures of 7241819, 7241820, 7241821, 7241822 via cif-deposit CGI script. |
7241819.cif |
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Users of the data should acknowledge the original authors of the
structural data.