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Information card for entry 7153605
Preview
Coordinates | 7153605.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H26 N2 O |
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Calculated formula | C26 H26 N2 O |
SMILES | C1(=O)N(C(=C(CCC)N1Cc1ccccc1)Cc1ccccc1)c1ccccc1 |
Title of publication | Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones. |
Authors of publication | Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 1741 - 1750 |
a | 7.8694 ± 0.0012 Å |
b | 10.0748 ± 0.0012 Å |
c | 13.8855 ± 0.0009 Å |
α | 101.946 ± 0.008° |
β | 92.094 ± 0.008° |
γ | 105.143 ± 0.012° |
Cell volume | 1034.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0481 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
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/7153605.html
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