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Information card for entry 4132038
Preview
| Coordinates | 4132038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51.83 H52.66 Cl9.72 N Sb0.98 |
|---|---|
| Calculated formula | C51.829 H52.658 Cl9.719 N Sb0.978 |
| 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 | 11.5521 ± 0.0006 Å |
| b | 24.1457 ± 0.0009 Å |
| c | 19.7738 ± 0.001 Å |
| α | 90° |
| β | 106.01 ± 0.005° |
| γ | 90° |
| Cell volume | 5301.6 ± 0.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.147 |
| Residual factor for significantly intense reflections | 0.0945 |
| Weighted residual factors for significantly intense reflections | 0.2293 |
| Weighted residual factors for all reflections included in the refinement | 0.2635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242080 (current) | 2019-11-25 | cif/ Adding structures of 4132038 via cif-deposit CGI script. |
4132038.cif |
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Users of the data should acknowledge the original authors of the
structural data.