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Information card for entry 4032829
Preview
Coordinates | 4032829.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H16 F3 I O4 S |
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Calculated formula | C19 H16 F3 I O4 S |
SMILES | [I+](c1ccc2ccccc2c1CCO)c1ccccc1.C(S(=O)(=O)[O-])(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 | 10.0344 ± 0.0002 Å |
b | 10.3739 ± 0.0002 Å |
c | 11.6159 ± 0.0002 Å |
α | 87.53 ± 0.001° |
β | 67.052 ± 0.001° |
γ | 61.903 ± 0.001° |
Cell volume | 967.44 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0206 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0533 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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