Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518715
Preview
| Coordinates | 4518715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H64 O3 |
|---|---|
| Calculated formula | C71 H64 O3 |
| 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 | 9.9507 ± 0.0004 Å |
| b | 17.1984 ± 0.0007 Å |
| c | 32.214 ± 0.0012 Å |
| α | 82.982 ± 0.002° |
| β | 85.75 ± 0.002° |
| γ | 89.947 ± 0.002° |
| Cell volume | 5456.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1454 |
| Residual factor for significantly intense reflections | 0.0978 |
| Weighted residual factors for significantly intense reflections | 0.2717 |
| Weighted residual factors for all reflections included in the refinement | 0.3101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265189 (current) | 2021-05-14 | cif/ Adding structures of 4518715 via cif-deposit CGI script. |
4518715.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.