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Information card for entry 1551144
Preview
| Coordinates | 1551144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 B N2 O |
|---|---|
| Calculated formula | C23 H29 B N2 O |
| SMILES | O(c1ccc(c(c1)C)[B@@H]1=C2N(C=CN2C[C@H]1C)c1c(C)cc(cc1C)C)C |
| Title of publication | Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom. |
| Authors of publication | Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 7.7655 ± 0.0001 Å |
| b | 12.1708 ± 0.0001 Å |
| c | 22.3907 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2116.2 ± 0.04 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 215507 (current) | 2019-05-25 | cif/ Adding structures of 1551142, 1551143, 1551144 via cif-deposit CGI script. |
1551144.cif |
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Users of the data should acknowledge the original authors of the
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