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Information card for entry 4032833
Preview
Coordinates | 4032833.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H14 F9 I O4 S |
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Calculated formula | C21 H14 F9 I O4 S |
SMILES | [I+](c1ccc2ccccc2c1CCO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses. |
Authors of publication | Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 22 |
Pages of publication | 11781 - 11786 |
a | 14.6631 ± 0.0015 Å |
b | 6.8524 ± 0.0007 Å |
c | 23.29 ± 0.002 Å |
α | 90° |
β | 99.566 ± 0.005° |
γ | 90° |
Cell volume | 2307.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0524 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.145 |
Weighted residual factors for all reflections included in the refinement | 0.1477 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032833.html
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