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Information card for entry 4518412
Preview
Coordinates | 4518412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H52 Br2 F2 N4 O8 S4 |
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Calculated formula | C52 H52 Br2 F2 N4 O8 S4 |
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 | 12.9016 ± 0.0004 Å |
b | 9.0322 ± 0.0002 Å |
c | 12.9338 ± 0.0003 Å |
α | 90° |
β | 105.257 ± 0.003° |
γ | 90° |
Cell volume | 1454.05 ± 0.07 Å3 |
Cell temperature | 105 ± 9 K |
Ambient diffraction temperature | 105 ± 9 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0802 |
Residual factor for significantly intense reflections | 0.0742 |
Weighted residual factors for significantly intense reflections | 0.189 |
Weighted residual factors for all reflections included in the refinement | 0.1931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4518412.html
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