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Information card for entry 7060235
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Coordinates | 7060235.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H17 F6 N O4 S |
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Calculated formula | C21 H17 F6 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 | 9.6619 ± 0.0004 Å |
b | 19.6122 ± 0.0008 Å |
c | 21.623 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4097.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1084 |
Weighted residual factors for all reflections included in the refinement | 0.1209 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/7060235.html
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Users of the data should acknowledge the original authors of the
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