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Information card for entry 1555148
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Coordinates | 1555148.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H48 N O3 S2 |
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Calculated formula | C43 H48 N O3 S2 |
SMILES | S(c1ccc(cc1)C(C)(C)C)[C@@H](C1[C@@H](N(S(=O)(=O)c2ccc(cc2)C)[C@@H]1c1ccccc1)c1ccccc1)c1ccc(OC)cc1.C(CC)CCC |
Title of publication | A Cation-Directed Enantioselective Sulfur-Mediated Michael/Mannich Three-Component Domino Reaction involving Chalcones as Michael Acceptors. |
Authors of publication | Ding, Ran; Zheng, Bo; Wang, Yan; Peng, Yungui |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 17 |
Pages of publication | 4128 - 4131 |
a | 11.13642 ± 0.00007 Å |
b | 14.74032 ± 0.00008 Å |
c | 46.2616 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7594.04 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1247 |
Weighted residual factors for all reflections included in the refinement | 0.125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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