Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023007
Preview
| Coordinates | 2023007.cif |
|---|---|
| Structure factors | 2023007.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate |
|---|---|
| Formula | C16 H24 B F3 O5 S Si |
| Calculated formula | C16 H24 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 | 10.4316 ± 0.0007 Å |
| b | 25.1732 ± 0.0017 Å |
| c | 7.7756 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2041.8 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
2023007.cif 2023007.hkl |
| 289077 | 2024-01-13 | cif/ hkl/ Adding structures of 2023007, 2023008, 2023009 via cif-deposit CGI script. |
2023007.cif 2023007.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.