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Information card for entry 4135107
Preview
| Coordinates | 4135107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45.5 H32 Cl |
|---|---|
| Calculated formula | C45.5 H32 Cl |
| Title of publication | A Nonalternant Aromatic Belt: Methylene-Bridged [6]Cycloparaphenylene Synthesized from Pillar[6]arene. |
| Authors of publication | Li, Yuanming; Segawa, Yasutomo; Yagi, Akiko; Itami, Kenichiro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 11.485 ± 0.0003 Å |
| b | 11.79 ± 0.0003 Å |
| c | 12.1794 ± 0.0003 Å |
| α | 107.588 ± 0.002° |
| β | 92.5269 ± 0.0019° |
| γ | 101.528 ± 0.0019° |
| Cell volume | 1530.72 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254188 (current) | 2020-07-11 | cif/ Adding structures of 4135107 via cif-deposit CGI script. |
4135107.cif |
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Users of the data should acknowledge the original authors of the
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