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Information card for entry 1550820
Preview
Coordinates | 1550820.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H19 N3 O3 |
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Calculated formula | C24 H19 N3 O3 |
SMILES | O=C(OCC)[C@]1([C@@]2(c3c(N(C2=O)C)cccc3)C1)C(=C(C#N)C#N)c1ccccc1.O=C(OCC)[C@@]1([C@]2(c3c(N(C2=O)C)cccc3)C1)C(=C(C#N)C#N)c1ccccc1 |
Title of publication | Diastereodivergent synthesis of cyclopropanes via on-water [2 + 1] annulations of diazo compounds with electron-deficient alkenes |
Authors of publication | Li, Qing-Zhu; Zhang, Xiang; Xie, Ke; Dai, Qing-Song; Zeng, Rong; Liu, Yan-Qing; Jia, Zhi-Qiang; Feng, Xin; Li, Jun-Long |
Journal of publication | Green Chemistry |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 9 |
Pages of publication | 2375 |
a | 13.6825 ± 0.001 Å |
b | 10.7919 ± 0.0005 Å |
c | 14.7575 ± 0.0012 Å |
α | 90° |
β | 108.476 ± 0.008° |
γ | 90° |
Cell volume | 2066.8 ± 0.3 Å3 |
Cell temperature | 293.06 ± 0.1 K |
Ambient diffraction temperature | 293.06 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0817 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.1951 |
Weighted residual factors for all reflections included in the refinement | 0.215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/1550820.html
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Users of the data should acknowledge the original authors of the
structural data.