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Information card for entry 4518713
Preview
| Coordinates | 4518713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H36 |
|---|---|
| Calculated formula | C53 H36 |
| Title of publication | Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space |
| Authors of publication | Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh |
| Journal of publication | ACS Central Science |
| Year of publication | 2021 |
| a | 16.3451 ± 0.0006 Å |
| b | 16.3451 ± 0.0006 Å |
| c | 80.409 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 18604.2 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0631 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265187 (current) | 2021-05-14 | cif/ Adding structures of 4518713 via cif-deposit CGI script. |
4518713.cif |
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Users of the data should acknowledge the original authors of the
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