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Information card for entry 1554513
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Coordinates | 1554513.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H19 Br O3 |
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Calculated formula | C21 H19 Br O3 |
SMILES | Brc1ccc([C@@H]([C@@]2(OC(=CC2=O)c2ccccc2)C)CC(=O)C)cc1 |
Title of publication | Asymmetric synthesis of highly functionalized furanones via direct Michael reactions mediated by a bulky primary amine |
Authors of publication | Huang, Huicai; Lu, Xue; Mao, Yukang; Ye, Jinxing |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 1080 |
a | 10.687 ± 0.008 Å |
b | 12.035 ± 0.009 Å |
c | 14.902 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1917 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0873 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1255 |
Weighted residual factors for all reflections included in the refinement | 0.1398 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1554513.html
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