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Information card for entry 4031136
Preview
Coordinates | 4031136.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 O4 S |
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Calculated formula | C19 H20 O4 S |
SMILES | S(=O)(=O)([C@H]1[C@@H](OC(C1=O)(C)C)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)([C@@H]1[C@H](OC(C1=O)(C)C)c1ccccc1)c1ccc(cc1)C |
Title of publication | A Synthesis of Dihydrofuran-3(2H)-ones. |
Authors of publication | Tata, Rama Rao; Harmata, Michael |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 13 |
Pages of publication | 6839 - 6845 |
a | 11.547 ± 0.003 Å |
b | 10.075 ± 0.002 Å |
c | 14.611 ± 0.003 Å |
α | 90° |
β | 90.595 ± 0.002° |
γ | 90° |
Cell volume | 1699.7 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0426 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0859 |
Weighted residual factors for all reflections included in the refinement | 0.0908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4031136.html
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