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Information card for entry 4132039
Preview
| Coordinates | 4132039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H99 Cl13 N2 Sb2 |
|---|---|
| Calculated formula | C106 H99 Cl13 N2 Sb2 |
| Title of publication | Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures. |
| Authors of publication | Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 13 |
| Pages of publication | 4649 - 4655 |
| a | 17.484 ± 0.008 Å |
| b | 18.351 ± 0.008 Å |
| c | 18.671 ± 0.009 Å |
| α | 110.418 ± 0.004° |
| β | 104.903 ± 0.002° |
| γ | 108.597 ± 0.0016° |
| Cell volume | 4842 ± 4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0927 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.2072 |
| Weighted residual factors for all reflections included in the refinement | 0.2367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242081 (current) | 2019-11-25 | cif/ Adding structures of 4132039 via cif-deposit CGI script. |
4132039.cif |
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Users of the data should acknowledge the original authors of the
structural data.