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Information card for entry 7234305
Preview
| Coordinates | 7234305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | TPO-DBBO |
|---|---|
| Chemical name | 4,8-bis(4-yl-triphenylphosphine oxide)-2,6-dimethylbenzo [1,2-d:4,5-d']bis(oxazole) |
| Formula | C48 H42 N2 O6 P2 |
| Calculated formula | C48 H42 N2 O6 P2 |
| Title of publication | Benzobisoxazole-based electron transporting materials with high Tg and ambipolar property: high efficiency deep-red phosphorescent OLEDs |
| Authors of publication | Xiaojun Yin; Tingke Zhang; Qiming Peng; Tao Zhou; Weixuan Zeng; Zece Zhu; Guohua Xie; Feng Li; Dongge Ma; Chuluo Yang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7589 - 7596 |
| a | 9.8428 ± 0.0015 Å |
| b | 17.45 ± 0.003 Å |
| c | 12.4113 ± 0.0019 Å |
| α | 90° |
| β | 101.866 ± 0.002° |
| γ | 90° |
| Cell volume | 2086.2 ± 0.6 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.2009 |
| Weighted residual factors for all reflections included in the refinement | 0.219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7234305.cif |
| 295937 | 2024-11-15 | Removed the '_chemical_formula_moiety' data item since it had an incorrect value that was almost identical or almost identical to the value of the '_chemical_formula_weight' data item. |
7234305.cif |
| 219020 | 2019-10-02 | cif/ Adding structures of 7234305 via cif-deposit CGI script. |
7234305.cif |
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Users of the data should acknowledge the original authors of the
structural data.