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Information card for entry 4085945
Preview
Coordinates | 4085945.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4,5,6,7-tetrafluoro-1,3-dihydro-3-hydroxy- 1,1-dimethyl-1,2,3-benzsiloxaborole |
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Formula | C8 H7 B F4 O2 Si |
Calculated formula | C8 H7 B F4 O2 Si |
SMILES | c12c(c(c(c(c1F)F)F)F)[Si](C)(C)OB2O |
Title of publication | Benzosiloxaboroles: Silicon Benzoxaborole Congeners with Improved Lewis Acidity, High Diol Affinity, and Potent Bioactivity |
Authors of publication | Brzozowska, Aleksandra; Ćwik, Paweł; Durka, Krzysztof; Kliś, Tomasz; Laudy, Agnieszka E.; Luliński, Sergiusz; Serwatowski, Janusz; Tyski, Stefan; Urban, Mateusz; Wróblewski, Wojciech |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 12 |
Pages of publication | 2924 |
a | 7.0586 ± 0.0003 Å |
b | 8.2461 ± 0.0004 Å |
c | 9.2426 ± 0.0004 Å |
α | 85.359 ± 0.004° |
β | 86.532 ± 0.003° |
γ | 85.636 ± 0.004° |
Cell volume | 533.86 ± 0.04 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0352 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.0966 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4085945.html
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Users of the data should acknowledge the original authors of the
structural data.