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Information card for entry 1551253
Preview
Coordinates | 1551253.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,1,1-Trifluoro-3,3-dimethyl-1,3-dihydro-1λ5-benzo[d][1,2]iodaoxole |
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Formula | C9 H10 F3 I O |
Calculated formula | C9 H10 F3 I O |
Title of publication | Substituent-controlled, Mild Oxidative Fluorination of Iodoarenes: Synthesis and Structural Study of Aryl I(III)- and I(V)-Fluorides |
Authors of publication | Häfliger, Joel; Pitts, Cody Ross; Bornemann, Dustin; Käser, Roland; Santschi, Nico; Charpentier, Julie; Otth, Elisabeth; Trapp, Nils; Verel, René; Lüthi, Hans Peter; Togni, Antonio |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 15.269 ± 0.0011 Å |
b | 10.8007 ± 0.0009 Å |
c | 13.777 ± 0.0011 Å |
α | 90° |
β | 116.726 ± 0.0014° |
γ | 90° |
Cell volume | 2029.3 ± 0.3 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 5 |
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 | 0.0676 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0909 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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