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Information card for entry 7157173
Preview
| Coordinates | 7157173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H23 F6 N P2 |
|---|---|
| Calculated formula | C25 H23 F6 N P2 |
| Title of publication | A Strong Organic Electron Donor Incorporating Highly π-Donating Triphenylphosphonium Ylidyl Substituents |
| Authors of publication | Burgoyne, Morgan M.; MacDougall, Thomas M.; Haines, Zachary N.; Conrad, Jordan W.; Calhoun, Larry A.; Decken, Andreas; Dyker, Adam |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 7.773 ± 0.005 Å |
| b | 8.96 ± 0.006 Å |
| c | 9.546 ± 0.006 Å |
| α | 78.697 ± 0.009° |
| β | 76.144 ± 0.008° |
| γ | 69.086 ± 0.009° |
| Cell volume | 598.5 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157173.cif |
| 220581 | 2019-10-31 | cif/ Adding structures of 7157172, 7157173 via cif-deposit CGI script. |
7157173.cif |
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Users of the data should acknowledge the original authors of the
structural data.