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Information card for entry 1553241
Preview
| Coordinates | 1553241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H34 Cl2 |
|---|---|
| Calculated formula | C49 H32 Cl2 |
| Title of publication | Towards pi-extended cycloparaphenylenes as seeds for CNT growth: investigating strain relieving ring-openings and rearrangements. |
| Authors of publication | Sisto, Thomas J.; Zakharov, Lev N.; White, Brittany M.; Jasti, Ramesh |
| Journal of publication | Chemical science |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 3681 - 3688 |
| a | 13.3249 ± 0.0009 Å |
| b | 26.5982 ± 0.0015 Å |
| c | 10.0862 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3574.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 39 |
| Hermann-Mauguin space group symbol | A e m 2 |
| Hall space group symbol | A 2 -2b |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.075 |
| Weighted residual factors for significantly intense reflections | 0.2148 |
| Weighted residual factors for all reflections included in the refinement | 0.2231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233867 (current) | 2019-11-23 | cif/ Adding structures of 1553241 via cif-deposit CGI script. |
1553241.cif |
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Users of the data should acknowledge the original authors of the
structural data.