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Information card for entry 7159517
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Coordinates | 7159517.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H18 O2 S |
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Calculated formula | C23 H18 O2 S |
Title of publication | CPA-catalyzed asymmetric domino thia-Michael/aldol reactions for simultaneous chiral center and axial chirality formation. |
Authors of publication | Wang, Xilong; Luo, Yu; Zhao, Jiaji; Luo, Shuang |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 33 |
Pages of publication | 6697 - 6701 |
a | 10.3685 ± 0.0001 Å |
b | 10.752 ± 0.0001 Å |
c | 15.8732 ± 0.0001 Å |
α | 90° |
β | 99.443 ± 0.001° |
γ | 90° |
Cell volume | 1745.6 ± 0.03 Å3 |
Cell temperature | 99.99 ± 0.1 K |
Ambient diffraction temperature | 99.99 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0385 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0998 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
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/7159517.html
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Users of the data should acknowledge the original authors of the
structural data.