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Information card for entry 4031811
Preview
Coordinates | 4031811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H17 N O3 |
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Calculated formula | C19 H17 N O3 |
SMILES | O=C(c1ccccc1)CC1(C)C(=O)N(C)C(=O)c2ccccc12 |
Title of publication | Silver-Catalyzed Decarboxylative Addition/Cyclization of Activated Alkenes with Aliphatic Carboxylic Acids. |
Authors of publication | Xia, Xiao-Feng; Zhu, Su-Li; Chen, Chao; Wang, Haijun; Liang, Yong-Min |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 3 |
Pages of publication | 1277 - 1284 |
a | 12.8653 ± 0.0012 Å |
b | 9.0875 ± 0.0009 Å |
c | 15.0355 ± 0.0014 Å |
α | 90° |
β | 115.014 ± 0.001° |
γ | 90° |
Cell volume | 1593 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0448 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4031811.html
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