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Information card for entry 4132510
Preview
| Coordinates | 4132510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C122 H134 F24 N4 O20 P4 |
|---|---|
| Calculated formula | C122 H134 F24 N4 O20 P4 |
| Title of publication | Viologen-Based Rotaxanes from Dibenzo-30-crown-10. |
| Authors of publication | Wessels, Hanlie R.; Slebodnick, Carla; Gibson, Harry W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 23 |
| Pages of publication | 7358 - 7370 |
| a | 10.82435 ± 0.00018 Å |
| b | 20.5867 ± 0.0003 Å |
| c | 33.7361 ± 0.0006 Å |
| α | 90° |
| β | 95.9552 ± 0.0017° |
| γ | 90° |
| Cell volume | 7477.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.1691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242484 (current) | 2019-11-26 | cif/ Adding structures of 4132510 via cif-deposit CGI script. |
4132510.cif |
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Users of the data should acknowledge the original authors of the
structural data.