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Information card for entry 1571101
Preview
| Coordinates | 1571101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (2r,3r)-3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(thiophen-3-yl)cyclobutanone |
|---|---|
| Formula | C14 H19 B O3 S |
| Calculated formula | C14 H19 B O3 S |
| 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 | 6.1465 ± 0.0009 Å |
| b | 8.6888 ± 0.0012 Å |
| c | 14.071 ± 0.002 Å |
| α | 102.121 ± 0.009° |
| β | 90.881 ± 0.011° |
| γ | 90.055 ± 0.01° |
| Cell volume | 734.63 ± 0.18 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1543 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.1609 |
| Weighted residual factors for all reflections included in the refinement | 0.2018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1571101.cif |
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Users of the data should acknowledge the original authors of the
structural data.