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Information card for entry 7234630
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| Coordinates | 7234630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | DAC-TP |
|---|---|
| Chemical name | 6,12-bis-(10-[1,1';3',1'']terphenyl-5'-yl-anthracen-9-yl)-chrysene |
| Formula | C94 H60 Cl4 |
| Calculated formula | C94 H60 Cl4 |
| Title of publication | Excimer emission based on the control of molecular structure and intermolecular interactions |
| Authors of publication | Jaehyun Lee; Hyocheol Jung; Hwangyu Shin; Joonghan Kim; Daisuke Yokoyama; Hidetaka Nishimura; Atsushi Wakamiya; Jongwook Park |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 2784 - 2792 |
| a | 9.6963 ± 0.0013 Å |
| b | 32.629 ± 0.004 Å |
| c | 11.449 ± 0.0016 Å |
| α | 90° |
| β | 113.025 ± 0.002° |
| γ | 90° |
| Cell volume | 3333.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0838 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| 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. |
7234630.cif |
| 219360 | 2019-10-15 | cif/ Adding structures of 7234630 via cif-deposit CGI script. |
7234630.cif |
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Users of the data should acknowledge the original authors of the
structural data.