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Information card for entry 4134124
Preview
| Coordinates | 4134124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H80 |
|---|---|
| Calculated formula | C82 H80 |
| Title of publication | Hydrocarbon Belts with Truncated Cone Structures. |
| Authors of publication | Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 3 |
| Pages of publication | 1196 - 1199 |
| a | 17.7064 ± 0.0003 Å |
| b | 18.1407 ± 0.0003 Å |
| c | 19.7159 ± 0.0004 Å |
| α | 90° |
| β | 108.079 ± 0.002° |
| γ | 90° |
| Cell volume | 6020.2 ± 0.2 Å3 |
| Cell temperature | 169.99 ± 0.11 K |
| Ambient diffraction temperature | 169.99 ± 0.11 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.1966 |
| Weighted residual factors for all reflections included in the refinement | 0.2213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247502 (current) | 2020-02-04 | cif/ Adding structures of 4134124 via cif-deposit CGI script. |
4134124.cif |
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Users of the data should acknowledge the original authors of the
structural data.