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Information card for entry 4036533
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Coordinates | 4036533.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H11 F |
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Calculated formula | C18 H10 F |
Title of publication | Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape. |
Authors of publication | Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 10 |
Pages of publication | 3983 - 3993 |
a | 13.173 ± 0.002 Å |
b | 5.8386 ± 0.0009 Å |
c | 15.894 ± 0.002 Å |
α | 90° |
β | 105.009 ± 0.002° |
γ | 90° |
Cell volume | 1180.7 ± 0.3 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0706 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.154 |
Weighted residual factors for all reflections included in the refinement | 0.1645 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036533.html
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Users of the data should acknowledge the original authors of the
structural data.