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Information card for entry 4130593
Preview
| Coordinates | 4130593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H82 N6 O10 |
|---|---|
| Calculated formula | C76 H82 N6 O10 |
| Title of publication | Sliding-Ring Catenanes. |
| Authors of publication | Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 32 |
| Pages of publication | 10214 - 10225 |
| a | 13.9493 ± 0.0008 Å |
| b | 48.567 ± 0.003 Å |
| c | 10.9451 ± 0.0005 Å |
| α | 90° |
| β | 112.934 ± 0.003° |
| γ | 90° |
| Cell volume | 6828.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 4 |
| 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 | 0.1465 |
| Residual factor for significantly intense reflections | 0.1095 |
| Weighted residual factors for significantly intense reflections | 0.2433 |
| Weighted residual factors for all reflections included in the refinement | 0.2595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240993 (current) | 2019-11-25 | cif/ Adding structures of 4130593 via cif-deposit CGI script. |
4130593.cif |
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Users of the data should acknowledge the original authors of the
structural data.