Information card for entry 1550883

Structure parameters

• Chemical name: Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications.
• 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 ų
• 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