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Information card for entry 1572863
Preview
Coordinates | 1572863.cif |
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Original paper (by DOI) | HTML |
Formula | C470.4 H161.6 |
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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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