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Information card for entry 7243254
Preview
Coordinates | 7243254.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 7-Chloro-6-benzoyloxy-1,1-dimethyl-3-hydroxybenzo-1,2,3-siloxaborole |
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Formula | C15 H14 B Cl O4 Si |
Calculated formula | C15 H14 B Cl O4 Si |
SMILES | c1(c2c(ccc1OC(=O)c1ccccc1)B(O[Si]2(C)C)O)Cl |
Title of publication | Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation |
Authors of publication | Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S. |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 41 |
Pages of publication | 25104 - 25121 |
a | 10.1341 ± 0.0001 Å |
b | 12.5199 ± 0.0002 Å |
c | 12.6193 ± 0.0002 Å |
α | 90° |
β | 91.705 ± 0.001° |
γ | 90° |
Cell volume | 1600.4 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.079 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
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/7243254.html
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Users of the data should acknowledge the original authors of the
structural data.