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Information card for entry 7154076
Preview
Coordinates | 7154076.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 O5 |
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Calculated formula | C19 H18 O5 |
SMILES | c1(cc(c(c(c1)C=O)c1ccccc1)C(=O)OCC)C(=O)OCC |
Title of publication | A metal-free one-pot cascade synthesis of highly functionalized biaryl-2-carbaldehydes. |
Authors of publication | Challa, Chandrasekhar; Vellekkatt, Jamsheena; Ravindran, Jaice; Lankalapalli, Ravi S. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 43 |
Pages of publication | 8588 - 8592 |
a | 13.861 ± 0.003 Å |
b | 9.623 ± 0.002 Å |
c | 17.3 ± 0.03 Å |
α | 90° |
β | 128.57 ± 0.05° |
γ | 90° |
Cell volume | 1804 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1493 |
Residual factor for significantly intense reflections | 0.0708 |
Weighted residual factors for significantly intense reflections | 0.159 |
Weighted residual factors for all reflections included in the refinement | 0.2013 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.759 |
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/7154076.html
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