Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7155265
Preview
Coordinates | 7155265.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 I N2 O7 S |
---|---|
Calculated formula | C19 H21 I N2 O7 S |
SMILES | I[C@@H]([C@@H](OCC)N(S(=O)(=O)c1ccc(N(=O)=O)cc1)Cc1ccccc1)C(=O)OC.I[C@H]([C@H](OCC)N(S(=O)(=O)c1ccc(N(=O)=O)cc1)Cc1ccccc1)C(=O)OC |
Title of publication | PIFA-mediated ethoxyiodination of enamides with potassium iodide. |
Authors of publication | Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2016 |
Journal volume | 14 |
Journal issue | 36 |
Pages of publication | 8448 - 8451 |
a | 14.1684 ± 0.0003 Å |
b | 6.6657 ± 0.0002 Å |
c | 47.1845 ± 0.0014 Å |
α | 90° |
β | 91.503 ± 0.002° |
γ | 90° |
Cell volume | 4454.7 ± 0.2 Å3 |
Cell temperature | 292.87 ± 0.11 K |
Ambient diffraction temperature | 292.87 ± 0.11 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0945 |
Weighted residual factors for all reflections included in the refinement | 0.1027 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
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/7155265.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.