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Information card for entry 7115465
Preview
Coordinates | 7115465.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H17 N O3 |
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Calculated formula | C16 H17 N O3 |
SMILES | Oc1c(c(c(c2ccc(C)cc2N(=O)=O)cc1C)C)C |
Title of publication | Chemoselective arylation of phenols with bromo-nitroarenes: synthesis of nitro-biaryl-ols and their conversion into benzofurans and carbazoles |
Authors of publication | Amit Kumar; Abhimanyu Yadav; Ajay Verma; Sadhan Jana; Moh. Sattar; Shailesh Kumar; Ch. Durga Prasad; Sangit Kumar |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 9481 |
a | 6.8419 ± 0.0003 Å |
b | 8.434 ± 0.0003 Å |
c | 12.6395 ± 0.0005 Å |
α | 82.195 ± 0.003° |
β | 79.847 ± 0.003° |
γ | 85.04 ± 0.002° |
Cell volume | 709.82 ± 0.05 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.134 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/7115465.html
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