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Information card for entry 4514155
Preview
| Coordinates | 4514155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 Br2 F N O |
|---|---|
| Calculated formula | C25 H22 Br2 F N O |
| Title of publication | Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric α-Fluorination of α-Branched Enals |
| Authors of publication | Arimitsu, Satoru; Yonamine, Tsunaki; Higashi, Masahiro |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Pages of publication | 4736 |
| a | 13.4096 ± 0.0004 Å |
| b | 5.2499 ± 0.0002 Å |
| c | 16.501 ± 0.0006 Å |
| α | 90° |
| β | 106.995 ± 0.002° |
| γ | 90° |
| Cell volume | 1110.93 ± 0.07 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1417 |
| Weighted residual factors for all reflections included in the refinement | 0.1749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197941 (current) | 2017-06-20 | cif/ Adding structures of 4514155 via cif-deposit CGI script. |
4514155.cif |
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