Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550882
Preview
Coordinates | 1550882.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications. |
---|---|
Formula | C20 H11 Br O2 S |
Calculated formula | C20 H11 Br O2 S |
SMILES | Brc1ccc(Sc2c3C(=O)c4c(C(=O)c3ccc2)cccc4)cc1 |
Title of publication | Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds |
Authors of publication | Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N. |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2019 |
a | 8.0446 ± 0.0008 Å |
b | 9.3059 ± 0.0009 Å |
c | 11.5017 ± 0.0015 Å |
α | 106.28 ± 0.01° |
β | 102.659 ± 0.01° |
γ | 90.396 ± 0.008° |
Cell volume | 804.28 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1078 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1194 |
Weighted residual factors for all reflections included in the refinement | 0.1548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1550882.html
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.