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Information card for entry 4035741
Preview
Coordinates | 4035741.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H13 Cl2 N O2 |
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Calculated formula | C16 H13 Cl2 N O2 |
SMILES | C(=O)(C(=O)C(c1ccc(cc1)Cl)Cl)N(c1ccccc1)C |
Title of publication | Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy. |
Authors of publication | Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 21 |
Pages of publication | 13132 - 13145 |
a | 9.868 ± 0.003 Å |
b | 12.526 ± 0.003 Å |
c | 24.997 ± 0.007 Å |
α | 90° |
β | 97.218 ± 0.003° |
γ | 90° |
Cell volume | 3065.3 ± 1.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0693 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.0956 |
Weighted residual factors for all reflections included in the refinement | 0.1054 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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227189 (current) | 2019-11-11 | cif/ Adding structures of 4035741 via cif-deposit CGI script. |
4035741.cif |
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Users of the data should acknowledge the original authors of the
structural data.