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Information card for entry 4034790
Preview
| Coordinates | 4034790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H62 F8 N2 O8 |
|---|---|
| Calculated formula | C58 H62 F8 N2 O8 |
| Title of publication | [2]Catenanes Displaying Switchable Gin-Trap-Like Motion. |
| Authors of publication | Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 10 |
| Pages of publication | 5619 - 5628 |
| a | 12.554 ± 0.0006 Å |
| b | 13.1199 ± 0.0007 Å |
| c | 16.8258 ± 0.0008 Å |
| α | 89.804 ± 0.004° |
| β | 72.121 ± 0.004° |
| γ | 87.944 ± 0.004° |
| Cell volume | 2635.7 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1444 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226313 (current) | 2019-11-11 | cif/ Adding structures of 4034790 via cif-deposit CGI script. |
4034790.cif |
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Users of the data should acknowledge the original authors of the
structural data.