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Information card for entry 1555236
Preview
| Coordinates | 1555236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 F O2 |
|---|---|
| Calculated formula | C14 H17 F O2 |
| SMILES | F[C@H]1[C@H]([C@H]1c1ccccc1)[C@@H]1OC(OC1)(C)C |
| Title of publication | Diastereoselective Fluorocyclopropanation of Chiral Allylic Alcohols Using an α-Fluoroiodomethylzinc Carbenoid. |
| Authors of publication | Navuluri, Chandrasekhar; Charette, André B |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 17 |
| Pages of publication | 4288 - 4291 |
| a | 5.8616 ± 0.0002 Å |
| b | 11.0435 ± 0.0004 Å |
| c | 18.6965 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1210.27 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0251 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238415 (current) | 2019-11-24 | cif/ Adding structures of 1555236 via cif-deposit CGI script. |
1555236.cif |
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Users of the data should acknowledge the original authors of the
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