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Information card for entry 1543005
Preview
Coordinates | 1543005.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H18 Br F O2 S |
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Calculated formula | C23 H18 Br F O2 S |
SMILES | Br/C=C1/c2ccccc2[C@@H]([C@@H](S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1.Br/C=C1/c2ccccc2[C@H]([C@H](S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 |
Title of publication | Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. |
Authors of publication | Chang, Meng-Yang; Cheng, Yu-Chieh |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 7 |
Pages of publication | 1682 - 1685 |
a | 9.6011 ± 0.0004 Å |
b | 21.5757 ± 0.0008 Å |
c | 10.0691 ± 0.0004 Å |
α | 90° |
β | 109.771 ± 0.001° |
γ | 90° |
Cell volume | 1962.86 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0471 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0749 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/1543005.html
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