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Information card for entry 4132040
Preview
| Coordinates | 4132040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128.76 H137.19 Cl14.9 N2 O2.73 Sb2 |
|---|---|
| Calculated formula | C128.758 H137.193 Cl14.9016 N2 O2.7254 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 | 32.3774 ± 0.0008 Å |
| b | 12.2907 ± 0.0003 Å |
| c | 29.9008 ± 0.0007 Å |
| α | 90° |
| β | 90.309 ± 0.002° |
| γ | 90° |
| Cell volume | 11898.6 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242082 (current) | 2019-11-25 | cif/ Adding structures of 4132040 via cif-deposit CGI script. |
4132040.cif |
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Users of the data should acknowledge the original authors of the
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