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Information card for entry 4032903
Preview
Coordinates | 4032903.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H15 N O5 S |
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Calculated formula | C16 H15 N O5 S |
SMILES | S(=O)(=O)(c1ccc(OC)cc1)CC(=C)c1c(cccc1)N(=O)=O |
Title of publication | Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration. |
Authors of publication | Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 19 |
Pages of publication | 10601 - 10610 |
a | 10.958 ± 0.003 Å |
b | 7.579 ± 0.002 Å |
c | 18.911 ± 0.005 Å |
α | 90° |
β | 106.133 ± 0.005° |
γ | 90° |
Cell volume | 1508.7 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1205 |
Residual factor for significantly intense reflections | 0.0964 |
Weighted residual factors for significantly intense reflections | 0.2638 |
Weighted residual factors for all reflections included in the refinement | 0.2805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
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/4032903.html
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