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Information card for entry 1550134
Preview
Coordinates | 1550134.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 F2 O |
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Calculated formula | C19 H18 F2 O |
SMILES | Fc1ccc(cc1)[C@H]1C(=C([C@H](O)CC1)C)c1ccc(F)cc1.Fc1ccc(cc1)[C@@H]1C(=C([C@@H](O)CC1)C)c1ccc(F)cc1 |
Title of publication | A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture |
Authors of publication | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 26.8452 ± 0.0002 Å |
b | 26.8452 ± 0.0002 Å |
c | 11.2309 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7009.36 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0463 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1205 |
Weighted residual factors for all reflections included in the refinement | 0.1217 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1550134.html
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Users of the data should acknowledge the original authors of the
structural data.