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Information card for entry 7233691
Preview
| Coordinates | 7233691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H16 F4 |
|---|---|
| Calculated formula | C40 H16 F4 |
| 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 | 16.62 ± 0.02 Å |
| b | 3.748 ± 0.004 Å |
| c | 19.26 ± 0.02 Å |
| α | 90° |
| β | 105.595 ± 0.019° |
| γ | 90° |
| Cell volume | 1156 ± 2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.2169 |
| Residual factor for significantly intense reflections | 0.1242 |
| Weighted residual factors for significantly intense reflections | 0.3558 |
| Weighted residual factors for all reflections included in the refinement | 0.399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218042 (current) | 2019-09-06 | cif/ Adding structures of 7233691 via cif-deposit CGI script. |
7233691.cif |
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Users of the data should acknowledge the original authors of the
structural data.