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Information card for entry 4134005
Preview
| Coordinates | 4134005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H45 F16 N2 O8 P2 S4 |
|---|---|
| Calculated formula | C54 H45 F16 N2 O8 P2 S4 |
| Title of publication | Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups. |
| Authors of publication | Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 11.6718 ± 0.0005 Å |
| b | 13.9968 ± 0.0007 Å |
| c | 17.3742 ± 0.0009 Å |
| α | 90° |
| β | 94.633 ± 0.002° |
| γ | 90° |
| Cell volume | 2829.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 7 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1436 |
| Weighted residual factors for all reflections included in the refinement | 0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
|---|---|---|---|
| 247142 (current) | 2020-01-24 | cif/ Adding structures of 4134005 via cif-deposit CGI script. |
4134005.cif |
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Users of the data should acknowledge the original authors of the
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