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Information card for entry 1572862
Preview
| Coordinates | 1572862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C242 H212 N4 O8 |
|---|---|
| Calculated formula | C242 H212 N4 O8 |
| Title of publication | Pentacosacyclenes: Cruciform Molecular Nanocarbons Based on Cyclooctatetraene |
| Authors of publication | Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 16.846 ± 0.002 Å |
| b | 22.876 ± 0.006 Å |
| c | 25.515 ± 0.004 Å |
| α | 69.3 ± 0.02° |
| β | 84.33 ± 0.02° |
| γ | 76.83 ± 0.02° |
| Cell volume | 8954 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1709 |
| Residual factor for significantly intense reflections | 0.1195 |
| Weighted residual factors for significantly intense reflections | 0.329 |
| Weighted residual factors for all reflections included in the refinement | 0.3687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295438 (current) | 2024-10-12 | cif/ Adding structures of 1572861, 1572862, 1572863 via cif-deposit CGI script. |
1572862.cif |
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Users of the data should acknowledge the original authors of the
structural data.