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Information card for entry 7152149
Preview
Coordinates | 7152149.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H16 Cl N3 O S |
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Calculated formula | C17 H16 Cl N3 O S |
SMILES | s1c(N2CCCCC2)nc2c1ccc(c1c(ccc(Cl)c1)O)n2 |
Title of publication | 2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines. |
Authors of publication | Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 4 |
Pages of publication | 890 - 894 |
a | 7.0888 ± 0.0004 Å |
b | 24.91 ± 0.0013 Å |
c | 8.8454 ± 0.0004 Å |
α | 90° |
β | 101.728 ± 0.003° |
γ | 90° |
Cell volume | 1529.33 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0673 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.0855 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7152149.html
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