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Information card for entry 4038327
Preview
| Coordinates | 4038327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-fluoro-2,3-diphenylpent-4-en-2-yl 4-nitrobenzoate |
|---|---|
| Formula | C24 H20 F N O4 |
| Calculated formula | C24 H20 F N O4 |
| Title of publication | (2-Fluoroallyl)boration of ketones with (2-fluoroallyl)boronates. |
| Authors of publication | Novikov, Maxim A.; Bobrova, Angelina; Mezentsev, Igor; Medvedev, Michael G.; Tomilov, Yury V. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 6.0732 ± 0.0013 Å |
| b | 11.111 ± 0.002 Å |
| c | 29.291 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1976.5 ± 0.7 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251782 (current) | 2020-05-06 | cif/ Adding structures of 4038327 via cif-deposit CGI script. |
4038327.cif |
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