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Information card for entry 7060241
Preview
Coordinates | 7060241.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H14 F6 I N O4 S |
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Calculated formula | C20 H14 F6 I N O4 S |
Title of publication | Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions |
Authors of publication | Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 46 |
Pages of publication | 20167 - 20180 |
a | 12.3934 ± 0.0003 Å |
b | 16.166 ± 0.0004 Å |
c | 10.981 ± 0.0002 Å |
α | 90° |
β | 106.052 ± 0.001° |
γ | 90° |
Cell volume | 2114.28 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0561 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.101 |
Weighted residual factors for all reflections included in the refinement | 0.1105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7060241.html
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Users of the data should acknowledge the original authors of the
structural data.