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Information card for entry 1518153
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1518153.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H22 Br N O3 |
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Calculated formula | C20 H22 Br N O3 |
SMILES | C1C(=O)N(c2ccc(cc2)Br)C(=O)[C@@H]1C/C=C/C(=O)C1CCCCC1 |
Title of publication | Asymmetric direct vinylogous Michael additions of allyl alkyl ketones to maleimides through dienamine catalysis. |
Authors of publication | Zhan, Gu; He, Qing; Yuan, Xin; Chen, Ying-Chun |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 22 |
Pages of publication | 6000 - 6003 |
a | 16.5841 ± 0.0003 Å |
b | 6.431 ± 0.0001 Å |
c | 18.0484 ± 0.0004 Å |
α | 90° |
β | 104.578 ± 0.002° |
γ | 90° |
Cell volume | 1862.93 ± 0.06 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.058 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1552 |
Weighted residual factors for all reflections included in the refinement | 0.1625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/1518153.html
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