Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233689
Preview
| Coordinates | 7233689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H18 F6 |
|---|---|
| Calculated formula | C42 H18 F6 |
| Title of publication | Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation |
| Authors of publication | Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 3928 - 3935 |
| a | 16.638 ± 0.006 Å |
| b | 7.303 ± 0.003 Å |
| c | 22.897 ± 0.009 Å |
| α | 90° |
| β | 97.954 ± 0.006° |
| γ | 90° |
| Cell volume | 2755.4 ± 1.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.191 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.2083 |
| Weighted residual factors for all reflections included in the refinement | 0.2871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218040 (current) | 2019-09-06 | cif/ Adding structures of 7233689 via cif-deposit CGI script. |
7233689.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.