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Information card for entry 7115932
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| Coordinates | 7115932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,6 DAP-TP |
|---|---|
| Formula | C84 H54 Cl8 |
| Calculated formula | C84 H54 Cl8 |
| Title of publication | Excimer formation in organic emitter films associated with a molecular orientation promoted by steric hindrance |
| Authors of publication | Jaehyun Lee; Beomjin Kim; Ji Eon Kwon; Joonghan Kim; Daisuke Yokoyama; Katsuaki Suzuki; Hidetaka Nishimura; Atsushi Wakamiya; Soo Young Park; Jongwook Park |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 14145 |
| a | 9.326 ± 0.002 Å |
| b | 9.491 ± 0.002 Å |
| c | 20.374 ± 0.007 Å |
| α | 91.17 ± 0.03° |
| β | 103.492 ± 0.011° |
| γ | 115.22 ± 0.02° |
| Cell volume | 1571.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 103 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1316 |
| Residual factor for significantly intense reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.196 |
| Weighted residual factors for all reflections included in the refinement | 0.2266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.813 |
| Diffraction radiation wavelength | 0.85 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7115932.cif |
| 180273 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/59. |
7115932.cif |
| 128138 | 2014-12-04 | cif/ Adding structures of 7115932 via cif-deposit CGI script. |
7115932.cif |
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Users of the data should acknowledge the original authors of the
structural data.