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Information card for entry 7117857
Preview
| Coordinates | 7117857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H56 |
|---|---|
| Calculated formula | C76 H56 |
| Title of publication | Thermal dimerization of [n]cumulenes (n = 5, 7, 9) |
| Authors of publication | Dominik Wendinger; Johanna A. Januszewski; Frank Hampel; Rik R. Tykwinski |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14877 |
| a | 16.2177 ± 0.0003 Å |
| b | 9.01016 ± 0.00014 Å |
| c | 21.3998 ± 0.0004 Å |
| α | 90° |
| β | 98.2323 ± 0.0018° |
| γ | 90° |
| Cell volume | 3094.8 ± 0.1 Å3 |
| Cell temperature | 172.9 ± 0.3 K |
| Ambient diffraction temperature | 172.9 ± 0.3 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1866 |
| Weighted residual factors for all reflections included in the refinement | 0.1947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 158310 (current) | 2015-09-25 | cif/ Adding structures of 7117856, 7117857, 7117858 via cif-deposit CGI script. |
7117857.cif |
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Users of the data should acknowledge the original authors of the
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