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Information card for entry 2023009
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| Coordinates | 2023009.cif |
|---|---|
| Structure factors | 2023009.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trimethylsilyl)phenyl trifluoromethanesulfonate |
|---|---|
| Formula | C17 H26 B F3 O5 S Si |
| Calculated formula | C17 H26 B F3 O5 S Si |
| Title of publication | Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates. |
| Authors of publication | Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 2 |
| Pages of publication | 143 - 147 |
| a | 10.2407 ± 0.0008 Å |
| b | 12.6295 ± 0.001 Å |
| c | 34.127 ± 0.003 Å |
| α | 90° |
| β | 95.689 ± 0.002° |
| γ | 90° |
| Cell volume | 4392.1 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| 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 | 0.1008 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.1712 |
| Weighted residual factors for all reflections included in the refinement | 0.1856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290337 (current) | 2024-03-05 | cif/ Updating files of 2023007, 2023008, 2023009 Original log message: Adding full bibliography for 2023007--2023009.cif. |
2023009.cif 2023009.hkl |
| 289077 | 2024-01-13 | cif/ hkl/ Adding structures of 2023007, 2023008, 2023009 via cif-deposit CGI script. |
2023009.cif 2023009.hkl |
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Users of the data should acknowledge the original authors of the
structural data.