Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233688
Preview
| Coordinates | 7233688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H24 |
|---|---|
| Calculated formula | C42 H24 |
| SMILES | c12c3c4ccc(cc4c4c1c1c(cc4)c4c(c5c1c1c(c6c5cccc6)ccc(c21)c1c3ccc(c1)C)cccc4)C |
| 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 | 32.238 ± 0.006 Å |
| b | 20.371 ± 0.004 Å |
| c | 7.4765 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4910 ± 1.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 2 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.1762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.261 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218039 (current) | 2019-09-06 | cif/ Adding structures of 7233688 via cif-deposit CGI script. |
7233688.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.