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Information card for entry 4517424
Preview
Coordinates | 4517424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H24 O4 |
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Calculated formula | C23 H24 O4 |
SMILES | O(C)C(=O)C1([C@@H](C=C(c2ccccc2)[C@H](C1)C)c1ccccc1)C(=O)OC |
Title of publication | Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way |
Authors of publication | Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 2882 - 2893 |
a | 10.4234 ± 0.0001 Å |
b | 6.0234 ± 0.0001 Å |
c | 15.0661 ± 0.0001 Å |
α | 90° |
β | 90.369 ± 0.001° |
γ | 90° |
Cell volume | 945.895 ± 0.019 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0325 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0697 |
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/4517424.html
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structural data.