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Information card for entry 4514838
Preview
Coordinates | 4514838.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H23 N O2 |
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Calculated formula | C25 H23 N O2 |
SMILES | O1[C@@H](C[C@@H]2c3c(N[C@H]4OC[C@@]1([C@@H]24)c1ccccc1)cccc3)c1ccccc1.O1[C@H](C[C@H]2c3c(N[C@@H]4OC[C@]1([C@H]24)c1ccccc1)cccc3)c1ccccc1 |
Title of publication | Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis |
Authors of publication | Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 8256 |
a | 18.0757 ± 0.0007 Å |
b | 14.6438 ± 0.0006 Å |
c | 7.2015 ± 0.0003 Å |
α | 90° |
β | 101.012 ± 0.004° |
γ | 90° |
Cell volume | 1871.12 ± 0.13 Å3 |
Cell temperature | 294.9 ± 0.6 K |
Ambient diffraction temperature | 294.9 ± 0.6 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0658 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1603 |
Weighted residual factors for all reflections included in the refinement | 0.1698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4514838.html
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Users of the data should acknowledge the original authors of the
structural data.