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Information card for entry 1512344
Preview
Coordinates | 1512344.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H12 F N O3 |
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Calculated formula | C12 H12 F N O3 |
SMILES | COC(=O)/C=C(\c1ccc(cc1)F)NC(=O)C |
Title of publication | Arylations of Substituted Enamides by Aryl Iodides: Regio- and Stereoselective Synthesis of (Z)-β-Amido-β-Arylacrylates. |
Authors of publication | Gou, Quan; Deng, Bin; Zhang, Hongbin; Qin, Jun |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 17 |
Pages of publication | 4604 - 4607 |
a | 8.9371 ± 0.0012 Å |
b | 12.7168 ± 0.0017 Å |
c | 20.942 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2380.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0913 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.1264 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/1512344.html
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