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Information card for entry 4125720
Preview
| Coordinates | 4125720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H13 B I2 O2 |
|---|---|
| Calculated formula | C7 H13 B I2 O2 |
| SMILES | IC(I)B1OC(C(O1)(C)C)(C)C |
| Title of publication | Diastereoselective Borocyclopropanation of Allylic Ethers Using a Boromethylzinc Carbenoid. |
| Authors of publication | Benoit, Guillaume; Charette, André B |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 4 |
| Pages of publication | 1364 - 1367 |
| a | 6.8628 ± 0.0007 Å |
| b | 19.7443 ± 0.0019 Å |
| c | 9.1054 ± 0.0008 Å |
| α | 90° |
| β | 111.017 ± 0.003° |
| γ | 90° |
| Cell volume | 1151.71 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.1635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.488 |
| 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 |
|---|---|---|---|
| 193099 (current) | 2017-03-04 | cif/ Adding structures of 4125720 via cif-deposit CGI script. |
4125720.cif |
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Users of the data should acknowledge the original authors of the
structural data.