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Information card for entry 7233690
Preview
| Coordinates | 7233690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H36 |
|---|---|
| Calculated formula | C57.6 H41.94 |
| 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 | 11.5281 ± 0.0014 Å |
| b | 18.237 ± 0.003 Å |
| c | 23.459 ± 0.005 Å |
| α | 87.113 ± 0.007° |
| β | 81.251 ± 0.006° |
| γ | 77.891 ± 0.005° |
| Cell volume | 4765.3 ± 1.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.1979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218041 (current) | 2019-09-06 | cif/ Adding structures of 7233690 via cif-deposit CGI script. |
7233690.cif |
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Users of the data should acknowledge the original authors of the
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