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Information card for entry 4123693
Preview
| Coordinates | 4123693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H35 B F4 O5 P Rh |
|---|---|
| Calculated formula | C26 H35 B F4 O5 P Rh |
| SMILES | [Rh]123([P@@]4(COc5cccc(c45)c4c(OC)cccc4OC)C(C)(C)C)([OH2])[CH]4=[CH]1C1[CH]3=[CH]2C4C1.[B](F)(F)(F)[F-].O |
| Title of publication | Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides. |
| Authors of publication | Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 21 |
| Pages of publication | 6746 - 6749 |
| a | 10.2826 ± 0.0009 Å |
| b | 8.166 ± 0.0007 Å |
| c | 16.8783 ± 0.0015 Å |
| α | 90° |
| β | 105.643 ± 0.002° |
| γ | 90° |
| Cell volume | 1364.7 ± 0.2 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0631 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123693.cif |
| 138230 | 2015-06-05 | cif/ Updating files of 4123693, 4123694 Original log message: Adding full bibliography for 4123693--4123694.cif. |
4123693.cif |
| 136990 | 2015-05-20 | cif/ Adding structures of 4123693 via cif-deposit CGI script. |
4123693.cif |
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Users of the data should acknowledge the original authors of the
structural data.