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Information card for entry 4036531
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Coordinates | 4036531.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 | 9.604 ± 0.003 Å |
b | 8.74 ± 0.002 Å |
c | 13.695 ± 0.003 Å |
α | 90° |
β | 96.535 ± 0.004° |
γ | 90° |
Cell volume | 1142.1 ± 0.5 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 3 |
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 | 0.2426 |
Residual factor for significantly intense reflections | 0.0748 |
Weighted residual factors for significantly intense reflections | 0.1672 |
Weighted residual factors for all reflections included in the refinement | 0.2132 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.782 |
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/4036531.html
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Users of the data should acknowledge the original authors of the
structural data.