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Information card for entry 1555733
Preview
Coordinates | 1555733.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H37 Br N2 O8 S2 |
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Calculated formula | C33 H37 Br N2 O8 S2 |
SMILES | Brc1cccc([C@H]2C[C@@]3(CCCN3S(=O)(=O)c3ccc(C)cc3)C(C(=O)OCC)(C(=O)OCC)N2S(=O)(=O)c2ccc(C)cc2)c1.Brc1cccc([C@@H]2C[C@]3(CCCN3S(=O)(=O)c3ccc(C)cc3)C(C(=O)OCC)(C(=O)OCC)N2S(=O)(=O)c2ccc(C)cc2)c1 |
Title of publication | Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles. |
Authors of publication | Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 4614 - 4617 |
a | 8.76 ± 0.05 Å |
b | 10.03 ± 0.06 Å |
c | 20.67 ± 0.12 Å |
α | 97.61 ± 0.04° |
β | 97.04 ± 0.05° |
γ | 107.15 ± 0.04° |
Cell volume | 1695 ± 17 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1253 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Weighted residual factors for all reflections included in the refinement | 0.1031 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
Diffraction radiation wavelength | 0.71 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/1555733.html
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Users of the data should acknowledge the original authors of the
structural data.