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Information card for entry 4519168
Preview
| Coordinates | 4519168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 F3 O |
|---|---|
| Calculated formula | C15 H15 F3 O |
| Title of publication | Catalytic Asymmetric C(sp3)–H Carbene Insertion Approach to Access Enantioenriched 3-Fluoroalkyl 2,3-Dihydrobenzofurans |
| Authors of publication | Zhang, Xinyu; Sivaguru, Paramasivam; Zanoni, Giuseppe; Han, Xinyue; Tong, Minghui; Bi, Xihe |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 22 |
| Pages of publication | 14293 - 14301 |
| a | 10.697 ± 0.004 Å |
| b | 5.5963 ± 0.0019 Å |
| c | 12.344 ± 0.004 Å |
| α | 90° |
| β | 113.17 ± 0.04° |
| γ | 90° |
| Cell volume | 679.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271034 (current) | 2021-12-03 | cif/ Adding structures of 4519168 via cif-deposit CGI script. |
4519168.cif |
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