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Information card for entry 4038848
Preview
| Coordinates | 4038848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 N2 O6 |
|---|---|
| Calculated formula | C18 H22 N2 O6 |
| Title of publication | Bi(cyclopentyl)diol-Derived Boronates in Highly Enantioselective Chiral Phosphoric Acid-Catalyzed Allylation, Propargylation and Crotylation of Aldehydes. |
| Authors of publication | Yuan, Jinping; Jain, Pankaj; Antilla, Jon C. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 5.921 ± 0.0001 Å |
| b | 9.6597 ± 0.0001 Å |
| c | 32.1824 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1840.68 ± 0.05 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200 ± 0.1 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 | 0.0368 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256875 (current) | 2020-10-01 | cif/ Adding structures of 4038848 via cif-deposit CGI script. |
4038848.cif |
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