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Information card for entry 4037996
Preview
Coordinates | 4037996.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H15 I N2 O2 |
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Calculated formula | C11 H15 I N2 O2 |
SMILES | IC(=C(\CC#N)CCCC)\N1C(=O)OCC1 |
Title of publication | Intermolecular addition of carbon-centered radicals to ynamides - A regio- and stereoselective route to persubstituted α-iodo-enamides. |
Authors of publication | Dwadnia, Nejib; Lingua, Hugo; Mouysset, Dominique; Mimoun, Liliane; Siri, Didier; Bertrand, Michèle P; Feray, Laurence |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 9.2857 ± 0.0002 Å |
b | 9.7065 ± 0.0003 Å |
c | 16.1028 ± 0.0004 Å |
α | 72.507 ± 0.002° |
β | 76.823 ± 0.002° |
γ | 87.285 ± 0.002° |
Cell volume | 1347.45 ± 0.06 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1143 |
Weighted residual factors for all reflections included in the refinement | 0.1259 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4037996.html
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