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Information card for entry 4025177
Preview
Coordinates | 4025177.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H26 O2 S4 |
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Calculated formula | C18 H26 O2 S4 |
SMILES | [C@]123SCCCS[C@@H]1[C@@H]1CC4(CC[C@]1([C@@](CC2)(O3)C)C=O)SCCS4.[C@@]123SCCCS[C@H]1[C@H]1CC4(CC[C@@]1([C@](CC2)(O3)C)C=O)SCCS4 |
Title of publication | Origin of Stereocontrol in the Construction of the 12-Oxatricyclo[6.3.1.02,7]dodecane Ring System by Prins-Pinacol Reactions |
Authors of publication | Larry E. Overman; Paul S. Tanis |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 455 - 463 |
a | 13.5377 ± 0.0013 Å |
b | 10.8139 ± 0.001 Å |
c | 12.5091 ± 0.0012 Å |
α | 90° |
β | 98.321 ± 0.002° |
γ | 90° |
Cell volume | 1812 ± 0.3 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 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 | 0.0303 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0725 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025177.html
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Users of the data should acknowledge the original authors of the
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