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Information card for entry 1553888
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1553888.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 N O3 S |
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Calculated formula | C13 H15 N O3 S |
SMILES | S(=O)(=O)(C1=C(NC(=O)C)c2ccccc2CC1)C |
Title of publication | Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides |
Authors of publication | Sun, Deli; Zhang, Ronghua |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 1 |
Pages of publication | 92 |
a | 15.8995 ± 0.0014 Å |
b | 8.3725 ± 0.0008 Å |
c | 9.9537 ± 0.0009 Å |
α | 90° |
β | 100.406 ± 0.003° |
γ | 90° |
Cell volume | 1303.2 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0959 |
Residual factor for significantly intense reflections | 0.0708 |
Weighted residual factors for significantly intense reflections | 0.1171 |
Weighted residual factors for all reflections included in the refinement | 0.1261 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
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/1553888.html
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Users of the data should acknowledge the original authors of the
structural data.