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Information card for entry 4518739
Preview
| Coordinates | 4518739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H78 B2 N2 O6 P2 |
|---|---|
| Calculated formula | C52 H78 B2 N2 O6 P2 |
| Title of publication | Synthesis of Chiral α-Amino Tertiary Boronates via the Catalytic Enantioselective Nucleophilic Borylation of Dialkyl Ketimines |
| Authors of publication | Kubota, Koji; Miura, Daiyo; Takeuchi, Takumi; Osaki, Shun; Ito, Hajime |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 6733 - 6740 |
| a | 7.8347 ± 0.0001 Å |
| b | 33.8529 ± 0.0003 Å |
| c | 10.5604 ± 0.0001 Å |
| α | 90° |
| β | 111.636 ± 0.001° |
| γ | 90° |
| Cell volume | 2603.57 ± 0.05 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265485 (current) | 2021-05-26 | cif/ Adding structures of 4518739 via cif-deposit CGI script. |
4518739.cif |
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