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Information card for entry 7158870
Preview
| Coordinates | 7158870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 O3 S |
|---|---|
| Calculated formula | C16 H22 O3 S |
| Title of publication | BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes |
| Authors of publication | Hsueh, Nai-Chen; Chang, Meng-Yang |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2022 |
| a | 5.5686 ± 0.0002 Å |
| b | 9.5682 ± 0.0003 Å |
| c | 15.1726 ± 0.0005 Å |
| α | 105.346 ± 0.003° |
| β | 92.676 ± 0.002° |
| γ | 102.631 ± 0.003° |
| Cell volume | 756.02 ± 0.05 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1449 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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 |
|---|---|---|---|
| 277744 (current) | 2022-09-09 | cif/ Adding structures of 7158868, 7158869, 7158870, 7158871, 7158872, 7158873, 7158874, 7158875, 7158876 via cif-deposit CGI script. |
7158870.cif |
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Users of the data should acknowledge the original authors of the
structural data.