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Information card for entry 4032905
Preview
Coordinates | 4032905.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 N O2 |
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Calculated formula | C18 H19 N O2 |
SMILES | O=N(=O)c1ccc(C2(c3ccccc3C(C)(C2)C)C)cc1 |
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 | 11.1208 ± 0.0009 Å |
b | 11.5061 ± 0.001 Å |
c | 11.8471 ± 0.001 Å |
α | 90° |
β | 102.556 ± 0.002° |
γ | 90° |
Cell volume | 1479.7 ± 0.2 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0535 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1079 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4032905.html
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