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Information card for entry 1572863
Preview
| Coordinates | 1572863.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C470.4 H161.6 |
|---|---|
| Calculated formula | C470.4 H161.6 |
| 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 | 37.776 ± 0.009 Å |
| b | 37.776 ± 0.009 Å |
| c | 37.012 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 45741 ± 15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 179 |
| Hermann-Mauguin space group symbol | P 65 2 2 |
| Hall space group symbol | P 65 2 (0 0 1) |
| Residual factor for all reflections | 0.1921 |
| Residual factor for significantly intense reflections | 0.168 |
| Weighted residual factors for significantly intense reflections | 0.4278 |
| Weighted residual factors for all reflections included in the refinement | 0.4423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.352 |
| 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. |
1572863.cif |
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Users of the data should acknowledge the original authors of the
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