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Information card for entry 4035886
Preview
Coordinates | 4035886.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H10 F N O2 |
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Calculated formula | C18 H10 F N O2 |
SMILES | Fc1ccc2O/C(=C\c3nc4c(cccc4)cc3)C(=O)c2c1 |
Title of publication | Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones. |
Authors of publication | Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 1 |
Pages of publication | 326 - 337 |
a | 12.5941 ± 0.0015 Å |
b | 14.2233 ± 0.0018 Å |
c | 7.5547 ± 0.0009 Å |
α | 90° |
β | 104.868 ± 0.003° |
γ | 90° |
Cell volume | 1308 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0808 |
Residual factor for significantly intense reflections | 0.0627 |
Weighted residual factors for significantly intense reflections | 0.1722 |
Weighted residual factors for all reflections included in the refinement | 0.1893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
227291 (current) | 2019-11-11 | cif/ Adding structures of 4035883, 4035884, 4035885, 4035886, 4035887, 4035888, 4035889, 4035890 via cif-deposit CGI script. |
4035886.cif |
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Users of the data should acknowledge the original authors of the
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