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Information card for entry 4032935
Preview
Coordinates | 4032935.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H23 N O3 S |
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Calculated formula | C22 H22.5 N O3 S |
SMILES | S(=O)(=O)(C)N(c1ccccc1)c1c(c(c(CCC=C)o1)C)c1ccccc1 |
Title of publication | Preparation of 2-Amino-5-homoallylfurans via Palladium-Catalyzed Tandem Cycloisomerization/Heck-Type Coupling of Homoallenyl Amides with Allyltrialkylsilanes. |
Authors of publication | Zhang, Jian; Wu, Mingchang; Lu, Wei; Wang, Shuaifeng; Zhang, Yan; Cheng, Cungui; Zhu, Gangguo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 20 |
Pages of publication | 11134 - 11140 |
a | 10.7119 ± 0.0007 Å |
b | 12.3681 ± 0.0007 Å |
c | 15.6167 ± 0.001 Å |
α | 88.64 ± 0.004° |
β | 76.819 ± 0.004° |
γ | 85.895 ± 0.004° |
Cell volume | 2009.3 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1621 |
Residual factor for significantly intense reflections | 0.1264 |
Weighted residual factors for significantly intense reflections | 0.2489 |
Weighted residual factors for all reflections included in the refinement | 0.2606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.63 |
Diffraction radiation wavelength | 0.71073 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/4032935.html
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Users of the data should acknowledge the original authors of the
structural data.