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Information card for entry 7233994
Preview
| Coordinates | 7233994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H36 N4 S2 |
|---|---|
| Calculated formula | C42 H36 N4 S2 |
| SMILES | S1C(=C2C3=C(C(c4ccccc34)=C3SC(C(=C3)CCCCCC)=C(C#N)C#N)c3c2cccc3)C=C(C1=C(C#N)C#N)CCCCCC |
| Title of publication | Dibenzo[a,e]pentalene-embedded dicyanomethylene-substituted thienoquinoidals for n-channel organic semiconductors: synthesis, properties, and device characteristics |
| Authors of publication | Masahiro Nakano; Itaru Osaka; Kazuo Takimiya |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 283 - 290 |
| a | 7.2133 ± 0.0002 Å |
| b | 14.5623 ± 0.0004 Å |
| c | 16.4041 ± 0.0005 Å |
| α | 91.618 ± 0.007° |
| β | 97.367 ± 0.007° |
| γ | 98.76 ± 0.007° |
| Cell volume | 1686.96 ± 0.09 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.2215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218576 (current) | 2019-09-20 | cif/ Adding structures of 7233994 via cif-deposit CGI script. |
7233994.cif |
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Users of the data should acknowledge the original authors of the
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