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Information card for entry 1550881
Preview
Coordinates | 1550881.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 | C20 H11 Br O4 S |
Calculated formula | C20 H11 Br O4 S |
SMILES | Brc1ccc(S(=O)(=O)c2c3C(=O)c4ccccc4C(=O)c3ccc2)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 | 5.7841 ± 0.0004 Å |
b | 12.278 ± 0.0007 Å |
c | 11.6933 ± 0.0008 Å |
α | 90° |
β | 102.57 ± 0.007° |
γ | 90° |
Cell volume | 810.52 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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214635 (current) | 2019-04-16 | cif/ Adding structures of 1550881, 1550882, 1550883 via cif-deposit CGI script. |
1550881.cif |
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Users of the data should acknowledge the original authors of the
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