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Information card for entry 7157594
Preview
Coordinates | 7157594.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H14 Br N3 O2 S |
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Calculated formula | C20 H14 Br N3 O2 S |
Title of publication | A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals. |
Authors of publication | Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 32 |
Pages of publication | 6407 - 6417 |
a | 8.4509 ± 0.0008 Å |
b | 10.7362 ± 0.0009 Å |
c | 11.5735 ± 0.0009 Å |
α | 108.414 ± 0.007° |
β | 104.992 ± 0.007° |
γ | 100.036 ± 0.007° |
Cell volume | 924.09 ± 0.16 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1028 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.2086 |
Weighted residual factors for all reflections included in the refinement | 0.2492 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.864 |
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/7157594.html
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Users of the data should acknowledge the original authors of the
structural data.