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Information card for entry 4130228
Preview
| Coordinates | 4130228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H35 F24 N5 P4 |
|---|---|
| Calculated formula | C42 H35 F24 N5 P4 |
| Title of publication | Cooperative Reactivity in an Extended-Viologen-Based Cyclophane. |
| Authors of publication | Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 11 |
| Pages of publication | 3667 - 3670 |
| a | 11.465 ± 0.002 Å |
| b | 22.063 ± 0.004 Å |
| c | 23.253 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5881.9 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.97 K |
| Number of distinct elements | 5 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I c m a |
| Hall space group symbol | -I 2b 2b |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.173 |
| Weighted residual factors for all reflections included in the refinement | 0.1756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240739 (current) | 2019-11-25 | cif/ Adding structures of 4130228 via cif-deposit CGI script. |
4130228.cif |
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Users of the data should acknowledge the original authors of the
structural data.