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Information card for entry 7109779
Preview
Coordinates | 7109779.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H32 N2 O6 S |
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Calculated formula | C40 H32 N2 O6 S |
SMILES | S(=O)(=O)(N1c2ccccc2[C@@H]([C@]2([C@@H]1C(=O)c1ccccc1)C(=O)N(c1c2cccc1)C(=O)C)CC(=O)c1ccccc1)c1ccc(cc1)C |
Title of publication | Cinchona-based squaramide-catalysed cascade aza-Michael-Michael addition: enantioselective construction of functionalized spirooxindole tetrahydroquinolines |
Authors of publication | Wen Yang; Da-Ming Du |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 8842 |
a | 8.7241 ± 0.0017 Å |
b | 23.084 ± 0.004 Å |
c | 9.0051 ± 0.0017 Å |
α | 90° |
β | 113.665 ± 0.003° |
γ | 90° |
Cell volume | 1661 ± 0.5 Å3 |
Cell temperature | 158 ± 2 K |
Ambient diffraction temperature | 158 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0422 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.0947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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