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Information card for entry 4033048
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Coordinates | 4033048.cif |
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Original paper (by DOI) | HTML |
Common name | 6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol |
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Chemical name | 6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol |
Formula | C17 H12 Br Cl O3 |
Calculated formula | C17 H12 Br Cl O3 |
SMILES | c12ccc(cc1ccc(c2c1c(c(cc(c1)Cl)OC)O)O)Br |
Title of publication | Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes. |
Authors of publication | Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 18 |
Pages of publication | 9367 - 9383 |
a | 4.2219 ± 0.0002 Å |
b | 16.5496 ± 0.0008 Å |
c | 20.8964 ± 0.0009 Å |
α | 90° |
β | 91.288 ± 0.004° |
γ | 90° |
Cell volume | 1459.68 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0699 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.1047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4033048.html
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