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Information card for entry 7157546
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Coordinates | 7157546.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H16 Cl N3 O2 |
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Calculated formula | C20 H16 Cl N3 O2 |
Title of publication | Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction. |
Authors of publication | Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 26 |
Pages of publication | 5050 - 5060 |
a | 12.174 ± 0.002 Å |
b | 12.709 ± 0.003 Å |
c | 12.335 ± 0.003 Å |
α | 90° |
β | 117.06 ± 0.03° |
γ | 90° |
Cell volume | 1699.5 ± 0.8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0405 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0905 |
Weighted residual factors for all reflections included in the refinement | 0.0943 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7157546.html
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structural data.