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Information card for entry 1574897
Preview
| Coordinates | 1574897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H23 F2 O2 P |
|---|---|
| Calculated formula | C24 H23 F2 O2 P |
| Title of publication | Difluoroenol Phosphinates as Difluoroenolate Surrogates: Synthesis and Applications in Defluorination and Deoxygenative Coupling |
| Authors of publication | Kurosawa, Miki B.; Shimoyama, Shuhei; Tanaka, HIroki; Yamaguchi, Junichiro |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 12.2416 ± 0.0001 Å |
| b | 14.7054 ± 0.0001 Å |
| c | 22.9539 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4132.11 ± 0.06 Å3 |
| Cell temperature | 100.02 ± 0.1 K |
| Ambient diffraction temperature | 100.02 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300146 (current) | 2025-06-21 | cif/ Adding structures of 1574897 via cif-deposit CGI script. |
1574897.cif |
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Users of the data should acknowledge the original authors of the
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