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Information card for entry 1571106
Preview
| Coordinates | 1571106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one |
|---|---|
| Formula | C19 H25 B O3 |
| Calculated formula | C19 H25 B O3 |
| Title of publication | Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition. |
| Authors of publication | Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 3249 - 3254 |
| a | 6.9091 ± 0.0009 Å |
| b | 16.369 ± 0.002 Å |
| c | 15.729 ± 0.002 Å |
| α | 90° |
| β | 92.089 ± 0.01° |
| γ | 90° |
| Cell volume | 1777.7 ± 0.4 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1627 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290048 (current) | 2024-03-04 | cif/ Adding structures of 1571100, 1571101, 1571102, 1571103, 1571104, 1571105, 1571106 via cif-deposit CGI script. |
1571106.cif |
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Users of the data should acknowledge the original authors of the
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