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Information card for entry 4034523
Preview
Coordinates | 4034523.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H15 F O2 S |
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Calculated formula | C19 H15 F O2 S |
SMILES | S(=O)(=O)(c1ccccc1)CC(=C\c1cc2c(cc1)cccc2)\F |
Title of publication | Palladium-Catalyzed Ring-Opening Coupling of <i>gem</i>-Difluorocyclopropanes for the Construction of 2-Fluoroallylic Sulfones. |
Authors of publication | Ni, Jiabin; Nishonov, Bekzod; Pardaev, Azizbek; Zhang, Ao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 21 |
Pages of publication | 13646 - 13654 |
a | 8.521 ± 0.002 Å |
b | 5.6665 ± 0.0013 Å |
c | 32.043 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1547.2 ± 0.7 Å3 |
Cell temperature | 220 K |
Ambient diffraction temperature | 220 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0864 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.114 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4034523.html
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