Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4030214
Preview
Coordinates | 4030214.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H24 O2 |
---|---|
Calculated formula | C19 H24 O2 |
SMILES | [C@@H]1(C(=O)CCC[C@]21CCC/C2=C\c1cc(C)c(C)cc1)O.[C@H]1(C(=O)CCC[C@@]21CCC/C2=C\c1cc(C)c(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 | 12.1767 ± 0.0004 Å |
b | 7.0864 ± 0.0002 Å |
c | 18.9922 ± 0.0009 Å |
α | 90° |
β | 105.033 ± 0.003° |
γ | 90° |
Cell volume | 1582.73 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1473 |
Weighted residual factors for all reflections included in the refinement | 0.1551 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
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/4030214.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.