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Information card for entry 7234014
Preview
| Coordinates | 7234014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Diphenyl(3-(pyren-1-yl-)phenyl)phosphine oxide |
|---|---|
| Formula | C34 H23 O P |
| Calculated formula | C34 H23 O P |
| SMILES | P(=O)(c1ccccc1)(c1ccccc1)c1cc(c2c3c4c(cc2)ccc2c4c(cc3)ccc2)ccc1 |
| Title of publication | Phosphine oxide functionalized pyrenes as efficient blue light emitting multifunctional materials for organic light emitting diodes |
| Authors of publication | Godumala Mallesham; Chidirala Swetha; Surukonti Niveditha; Maneesha Esther Mohanty; Nanubolu Jagadeesh Babu; Arunandan Kumar; Kotamarthi Bhanuprakash; Vaidya Jayathirtha Rao |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 1208 - 1224 |
| a | 9.0088 ± 0.0009 Å |
| b | 9.6445 ± 0.0009 Å |
| c | 14.0042 ± 0.0013 Å |
| α | 96.309 ± 0.002° |
| β | 98.175 ± 0.001° |
| γ | 92.359 ± 0.002° |
| Cell volume | 1195.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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. |
7234014.cif |
| 218596 | 2019-09-20 | cif/ Adding structures of 7234014 via cif-deposit CGI script. |
7234014.cif |
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Users of the data should acknowledge the original authors of the
structural data.