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Information card for entry 4025556
Preview
Coordinates | 4025556.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (R*)-5-((R*)-1-(tert-Butyldimethylsilyloxy)-2,2-dimethylcyclohexyl) furan-2(5H)-one |
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Formula | C18 H32 O3 Si |
Calculated formula | C18 H32 O3 Si |
SMILES | [Si](O[C@@]1([C@@H]2OC(=O)C=C2)C(CCCC1)(C)C)(C(C)(C)C)(C)C.[Si](O[C@]1([C@H]2OC(=O)C=C2)C(CCCC1)(C)C)(C(C)(C)C)(C)C |
Title of publication | Carbon Acid Induced Mukaiyama Aldol Type Reaction of Sterically Hindered Ketones |
Authors of publication | Hikaru Yanai; Yasuhiro Yoshino; Arata Takahashi; Takeo Taguchi |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 5375 - 5378 |
a | 7.5776 ± 0.0012 Å |
b | 10.1746 ± 0.0016 Å |
c | 12.161 ± 0.002 Å |
α | 99.615 ± 0.002° |
β | 91.836 ± 0.002° |
γ | 96.734 ± 0.002° |
Cell volume | 916.8 ± 0.3 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0442 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4025556.html
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