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Information card for entry 4030218
Preview
Coordinates | 4030218.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 O2 |
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Calculated formula | C18 H22 O2 |
SMILES | [C@H]1(C(=O)CCC[C@@]21CCCC\2=C/c1ccc(C)cc1)O.[C@@H]1(C(=O)CCC[C@]21CCCC\2=C/c1ccc(C)cc1)O |
Title of publication | Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols. |
Authors of publication | Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 23 |
Pages of publication | 11802 - 11811 |
a | 7.3582 ± 0.0002 Å |
b | 10.2308 ± 0.0003 Å |
c | 10.3868 ± 0.0004 Å |
α | 95.5 ± 0.002° |
β | 97.251 ± 0.002° |
γ | 101.113 ± 0.001° |
Cell volume | 755.3 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0936 |
Residual factor for significantly intense reflections | 0.0647 |
Weighted residual factors for significantly intense reflections | 0.1919 |
Weighted residual factors for all reflections included in the refinement | 0.2211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/4030218.html
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Users of the data should acknowledge the original authors of the
structural data.