Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245287
Preview
| Coordinates | 7245287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H70 O12 |
|---|---|
| Calculated formula | C74 H70 O12 |
| Title of publication | Adsorptive separation of para-xylene by nonporous adaptive crystals of phenanthrene[2]arene |
| Authors of publication | Hou, Ying; Duan, Yin-Rong; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 34 |
| Pages of publication | 22060 - 22063 |
| a | 15.047 ± 0.004 Å |
| b | 8.2362 ± 0.0019 Å |
| c | 26.661 ± 0.006 Å |
| α | 90° |
| β | 104.502 ± 0.003° |
| γ | 90° |
| Cell volume | 3198.8 ± 1.3 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1826 |
| Weighted residual factors for all reflections included in the refinement | 0.2054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277182 (current) | 2022-08-10 | cif/ Adding structures of 7245287, 7245288 via cif-deposit CGI script. |
7245287.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.