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Information card for entry 1550883
Preview
Coordinates | 1550883.cif |
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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. |
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Formula | C32 H29 B F2 N2 O S2 |
Calculated formula | C32 H29 B F2 N2 O S2 |
SMILES | S(c1c(c2n([B](F)(F)[n]3c(c(c(Sc4ccccc4)c3C)C)=C2c2ccc(cc2)OC)c1C)C)c1ccccc1 |
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 | 18.217 ± 0.003 Å |
b | 7.6976 ± 0.0008 Å |
c | 20.1851 ± 0.0017 Å |
α | 90° |
β | 98.631 ± 0.011° |
γ | 90° |
Cell volume | 2798.4 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | I 1 a 1 |
Hall space group symbol | I -2ya |
Residual factor for all reflections | 0.1333 |
Residual factor for significantly intense reflections | 0.0736 |
Weighted residual factors for significantly intense reflections | 0.1863 |
Weighted residual factors for all reflections included in the refinement | 0.2429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/1550883.html
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