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Information card for entry 7237800
Preview
| Coordinates | 7237800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H18 |
|---|---|
| Calculated formula | C32 H18 |
| Title of publication | A case study of tuning the crystal polymorphs of organic semiconductors towards simultaneously improved light emission and field-effect properties |
| Authors of publication | Liu, Dan; Li, Chenguang; Niu, Shujie; Li, Yang; Hu, Mengxiao; Li, Qingyuan; Zhu, Weigang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 20 |
| Pages of publication | 5925 |
| a | 3.9406 ± 0.0001 Å |
| b | 19.7156 ± 0.0005 Å |
| c | 30.0106 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2331.56 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 2 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7237800.cif |
| 238618 | 2019-11-24 | cif/ Adding structures of 7237799, 7237800 via cif-deposit CGI script. |
7237800.cif |
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Users of the data should acknowledge the original authors of the
structural data.