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Information card for entry 4034964
Preview
Coordinates | 4034964.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H26 N2 O6 S |
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Calculated formula | C28 H26 N2 O6 S |
SMILES | S1(=O)(=O)O[C@H]([C@H](N1)c1ccccc1)[C@]1(c2ccccc2N(C1=O)Cc1ccccc1)C(=C)C(=O)OCC.S1(=O)(=O)O[C@@H]([C@@H](N1)c1ccccc1)[C@@]1(c2ccccc2N(C1=O)Cc1ccccc1)C(=C)C(=O)OCC |
Title of publication | Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO. |
Authors of publication | Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 5 |
Pages of publication | 2660 - 2675 |
a | 12.9684 ± 0.0005 Å |
b | 11.4288 ± 0.0003 Å |
c | 19.9239 ± 0.0007 Å |
α | 90° |
β | 107.76 ± 0.004° |
γ | 90° |
Cell volume | 2812.25 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1029 |
Residual factor for significantly intense reflections | 0.0896 |
Weighted residual factors for significantly intense reflections | 0.2638 |
Weighted residual factors for all reflections included in the refinement | 0.2814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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