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Information card for entry 1546472
Preview
Coordinates | 1546472.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H37 Cl2 N O4 S |
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Calculated formula | C32 H37 Cl2 N O4 S |
SMILES | ClCCl.S(=O)(=O)(N1C(=O)C(=C)[C@@H](c2cc(C(C)(C)C)c(O)c(c2)C(C)(C)C)c2ccccc12)c1ccc(cc1)C |
Title of publication | Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides. |
Authors of publication | Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 12 |
Pages of publication | 3207 - 3210 |
a | 9.4913 ± 0.0006 Å |
b | 16.766 ± 0.0011 Å |
c | 10.7446 ± 0.0007 Å |
α | 90° |
β | 109.854 ± 0.007° |
γ | 90° |
Cell volume | 1608.17 ± 0.19 Å3 |
Cell temperature | 294.78 ± 0.1 K |
Ambient diffraction temperature | 294.78 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.069 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1352 |
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 | Yes |
Has Fobs | No |
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