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Information card for entry 4021745
Preview
Coordinates | 4021745.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H10 F6 O4 |
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Calculated formula | C21 H10 F6 O4 |
SMILES | FC(F)(F)[C@]12Oc3c(C=C2C(=O)C2[C@@](O1)(Oc1ccccc1C=2)C(F)(F)F)cccc3 |
Title of publication | Reaction of Polyhaloalkyl-Substituted Chromones, Pyrones, and Furanones with Salicylaldehydes as a Direct Route to Fused 2H-Chromenes |
Authors of publication | Vyacheslav Ya. Sosnovskikh; Vladislav Yu. Korotaev; Dmitry L. Chizhov; Igor B. Kutyashev; Danil S. Yachevskii; Olga N. Kazheva; Oleg A. Dyachenko; Valery N. Charushin |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 4538 - 4543 |
a | 11.053 ± 0.002 Å |
b | 12.222 ± 0.002 Å |
c | 13.902 ± 0.002 Å |
α | 90° |
β | 97.37 ± 0.02° |
γ | 90° |
Cell volume | 1862.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0446 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0869 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.7107 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/4021745.html
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