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Information card for entry 4030217
Preview
Coordinates | 4030217.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H17 Cl O2 |
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Calculated formula | C11 H17 Cl O2 |
SMILES | C1(=C[C@@]2(CCC1)CCC[C@@H]([C@@H]2O)O)Cl.C1(=C[C@]2(CCC1)CCC[C@H]([C@H]2O)O)Cl |
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 | 5.9783 ± 0.0011 Å |
b | 7.2121 ± 0.0011 Å |
c | 13.006 ± 0.003 Å |
α | 77.36 ± 0.007° |
β | 79.561 ± 0.007° |
γ | 89.748 ± 0.008° |
Cell volume | 537.76 ± 0.18 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
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/4030217.html
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Users of the data should acknowledge the original authors of the
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