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Information card for entry 1505496
Preview
Coordinates | 1505496.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Me2 3T O2 |
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Formula | C22 H28 O2 S3 |
Calculated formula | C22 H28 O2 S3 |
SMILES | CCCCC1=C(c2ccc(s2)C)S(=O)(=O)C(=C1CCCC)c1ccc(s1)C |
Title of publication | Reverse selectivity in m-CPBA oxidation of oligothiophenes to sulfones. |
Authors of publication | Pappenfus, Ted M.; Melby, Jacob H.; Hansen, Brent B.; Sumption, Devin M.; Hubers, Scott A.; Janzen, Daron E.; Ewbank, Paul C.; McGee, Kari A.; Burand, Michael W.; Mann, Kent R. |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 19 |
Pages of publication | 3721 - 3724 |
a | 8.7636 ± 0.0015 Å |
b | 11.4311 ± 0.0019 Å |
c | 22.392 ± 0.004 Å |
α | 84.673 ± 0.003° |
β | 84.832 ± 0.003° |
γ | 83.554 ± 0.003° |
Cell volume | 2212.2 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0829 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1505496.html
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