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Information card for entry 4517624
Preview
Coordinates | 4517624.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H17 N O5 S |
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Calculated formula | C19 H17 N O5 S |
Title of publication | Highly Enantioselective Construction of Fully Substituted Stereocenters Enabled by In Situ Phosphonium-Containing Organocatalysis |
Authors of publication | Zhang, Hongkui; Jiang, Chunhui; Tan, Jian-Ping; Hu, Hui-Lin; Chen, Yayun; Ren, Xiaoyu; Zhang, Hong-Su; Wang, Tianli |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 5698 - 5706 |
a | 7.9914 ± 0.0002 Å |
b | 19.2773 ± 0.0006 Å |
c | 12.1358 ± 0.0003 Å |
α | 90° |
β | 90.712 ± 0.002° |
γ | 90° |
Cell volume | 1869.41 ± 0.09 Å3 |
Cell temperature | 292.8 ± 0.4 K |
Ambient diffraction temperature | 292.8 ± 0.4 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1395 |
Weighted residual factors for all reflections included in the refinement | 0.1434 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4517624.html
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