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Information card for entry 7126370
Preview
| Coordinates | 7126370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H23 B O2 |
|---|---|
| Calculated formula | C20 H23 B O2 |
| SMILES | O1B(O)C[C@@]2(CC3([C@H]12)CCCCC3)c1ccc2ccccc2c1.O1B(O)C[C@]2(CC3([C@@H]12)CCCCC3)c1ccc2ccccc2c1 |
| Title of publication | Consecutive borylcupration/C-C coupling of γ-alkenyl aldehydes towards diastereoselective 2-(borylmethyl)cycloalkanols. |
| Authors of publication | Maza, Ricardo J.; Royes, Jordi; Carbó, Jorge J; Fernández, Elena |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 44 |
| Pages of publication | 5973 - 5976 |
| a | 25.557 ± 0.009 Å |
| b | 5.612 ± 0.002 Å |
| c | 25.398 ± 0.009 Å |
| α | 90° |
| β | 113.817 ± 0.008° |
| γ | 90° |
| Cell volume | 3333 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.134 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1672 |
| Weighted residual factors for all reflections included in the refinement | 0.1981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7126370.cif |
| 252682 | 2020-06-05 | cif/ Updating files of 7126370, 7126371 Original log message: Adding full bibliography for 7126370--7126371.cif. |
7126370.cif |
| 250744 | 2020-04-14 | cif/ Adding structures of 7126370, 7126371 via cif-deposit CGI script. |
7126370.cif |
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Users of the data should acknowledge the original authors of the
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