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Information card for entry 7125379
Preview
| Coordinates | 7125379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H16 Cl4 F6 N3 O8 P S2 |
|---|---|
| Calculated formula | C29 H16 Cl4 F6 N3 O8 P S2 |
| Title of publication | P(v) dications: carbon-based Lewis acid initiators for hydrodefluorination. |
| Authors of publication | Waked, Alexander E.; Chitnis, Saurabh S.; Stephan, Douglas W. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| Journal volume | 55 |
| Journal issue | 61 |
| Pages of publication | 8971 - 8974 |
| a | 8.7656 ± 0.0013 Å |
| b | 10.8058 ± 0.0015 Å |
| c | 19.768 ± 0.003 Å |
| α | 95.71 ± 0.008° |
| β | 99.202 ± 0.008° |
| γ | 112.242 ± 0.008° |
| Cell volume | 1684.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0498 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125379.cif |
| 237839 | 2019-11-24 | cif/ Adding structures of 7125379, 7125380 via cif-deposit CGI script. |
7125379.cif |
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Users of the data should acknowledge the original authors of the
structural data.