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Information card for entry 4036221
Preview
Coordinates | 4036221.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H19 Cl F N O2 S |
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Calculated formula | C23 H19 Cl F N O2 S |
SMILES | Clc1ccc(C2Nc3ccccc3C(=O)C=2c2cccc(F)c2)cc1.S(=O)(C)C |
Title of publication | Transition-Metal-Free C-3 Arylation of Quinoline-4-ones with Arylhydrazines. |
Authors of publication | Ravi, Makthala; Chauhan, Parul; Kant, Ruchir; Shukla, Sanjeev K.; Yadav, Prem P. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 10 |
Pages of publication | 5369 - 5376 |
a | 9.639 ± 0.0014 Å |
b | 11.5016 ± 0.0015 Å |
c | 11.5355 ± 0.0017 Å |
α | 62.617 ± 0.008° |
β | 79.921 ± 0.011° |
γ | 66.237 ± 0.009° |
Cell volume | 1039.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1223 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71075 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/4036221.html
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