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Information card for entry 4130590
Preview
| Coordinates | 4130590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C150 H177 F36 N19 O20 P6 |
|---|---|
| Calculated formula | C150 H177 F36.012 N19 O20 P6.002 |
| 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 | 19.1189 ± 0.0005 Å |
| b | 19.7795 ± 0.0006 Å |
| c | 45.0588 ± 0.0012 Å |
| α | 90° |
| β | 93.421 ± 0.002° |
| γ | 90° |
| Cell volume | 17009.2 ± 0.8 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 | 0.0916 |
| Residual factor for significantly intense reflections | 0.0749 |
| Weighted residual factors for significantly intense reflections | 0.2042 |
| Weighted residual factors for all reflections included in the refinement | 0.213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240990 (current) | 2019-11-25 | cif/ Adding structures of 4130590 via cif-deposit CGI script. |
4130590.cif |
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Users of the data should acknowledge the original authors of the
structural data.