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Information card for entry 4130944
Preview
Coordinates | 4130944.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H9 B F5 I O4 |
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Calculated formula | C10 H9 B F5 I O4 |
SMILES | [I](OC(=O)CF)(OC(=[O][B](F)(F)F)CF)c1ccccc1 |
Title of publication | Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications. |
Authors of publication | Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 39 |
Pages of publication | 12747 - 12750 |
a | 5.4807 ± 0.0017 Å |
b | 9.086 ± 0.003 Å |
c | 14.021 ± 0.004 Å |
α | 78.903 ± 0.01° |
β | 81.424 ± 0.011° |
γ | 89.698 ± 0.01° |
Cell volume | 677.3 ± 0.4 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 | 0.1269 |
Residual factor for significantly intense reflections | 0.1125 |
Weighted residual factors for significantly intense reflections | 0.2796 |
Weighted residual factors for all reflections included in the refinement | 0.2866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
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/4130944.html
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Users of the data should acknowledge the original authors of the
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