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Information card for entry 7103500
Preview
Coordinates | 7103500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H44 O3 S2 |
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Calculated formula | C34 H44 O3 S2 |
SMILES | S(C(=O)C([C@H]1[C@@]2(C(=O)CC1)[C@H]1C=C[C@H](C1)C2)C(=O)SC12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2.S(C(=O)C([C@@H]1[C@]2(C(=O)CC1)[C@@H]1C=C[C@@H](C1)C2)C(=O)SC12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2 |
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 | 18.7796 ± 0.0012 Å |
b | 13.0947 ± 0.0008 Å |
c | 11.9738 ± 0.0007 Å |
α | 90° |
β | 94.651 ± 0.002° |
γ | 90° |
Cell volume | 2934.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1132 |
Residual factor for significantly intense reflections | 0.0666 |
Weighted residual factors for significantly intense reflections | 0.1418 |
Weighted residual factors for all reflections included in the refinement | 0.1599 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7103500.html
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Users of the data should acknowledge the original authors of the
structural data.