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Information card for entry 4514613
Preview
| Coordinates | 4514613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 B O3 |
|---|---|
| Calculated formula | C23 H29 B O3 |
| SMILES | O[C@]1([C@](CC1)(c1ccccc1)CB1OC(C)(C)C(O1)(C)C)c1ccccc1 |
| Title of publication | Asymmetric Synthesis of Boryl-Functionalized Cyclobutanols |
| Authors of publication | Whyte, Andrew; Mirabi, Bijan; Torelli, Alexa; Prieto, Liher; Bajohr, Jonathan; Lautens, Mark |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 9253 |
| a | 11.8365 ± 0.0003 Å |
| b | 12.8133 ± 0.0004 Å |
| c | 13.5157 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2049.85 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219798 (current) | 2019-10-28 | cif/ Adding structures of 4514613 via cif-deposit CGI script. |
4514613.cif |
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