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Information card for entry 4518414
Preview
Coordinates | 4518414.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22.5 H19 Br Cl N O4 S |
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Calculated formula | C22.5 H19 Br Cl N O4 S |
Title of publication | Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water |
Authors of publication | Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Pages of publication | 1706 - 1713 |
a | 12.185 ± 0.003 Å |
b | 12.529 ± 0.004 Å |
c | 14.695 ± 0.004 Å |
α | 82.566 ± 0.005° |
β | 83.909 ± 0.005° |
γ | 87.659 ± 0.005° |
Cell volume | 2211.2 ± 1.1 Å3 |
Cell temperature | 203 K |
Ambient diffraction temperature | 203 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1056 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.2194 |
Weighted residual factors for all reflections included in the refinement | 0.2345 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4518414.html
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