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Information card for entry 7103499
Preview
Coordinates | 7103499.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H36 O3 S2 |
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Calculated formula | C21 H36 O3 S2 |
SMILES | S(C(=O)C([C@H]1[C@@H](C(=O)CC1)CCCCC)C(=O)SC(C)(C)C)C(C)(C)C.S(C(=O)C([C@@H]1[C@H](C(=O)CC1)CCCCC)C(=O)SC(C)(C)C)C(C)(C)C |
Title of publication | Tandem conjugate addition-elimination reaction promoted by chiral pyrrolidinyl sulfonamide (CPS). |
Authors of publication | Xu, Junye; Fu, Xiao; Low, Ruijuan; Goh, Yong-Peng; Jiang, Zhiyong; Tan, Choon-Hong |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 43 |
Pages of publication | 5526 - 5528 |
a | 18.839 ± 0.0019 Å |
b | 12.6378 ± 0.0014 Å |
c | 10.2009 ± 0.001 Å |
α | 90° |
β | 95.756 ± 0.003° |
γ | 90° |
Cell volume | 2416.4 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.1009 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1237 |
Weighted residual factors for all reflections included in the refinement | 0.1394 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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