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Information card for entry 1544967
Preview
Coordinates | 1544967.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H21 N O2 S |
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Calculated formula | C20 H21 N O2 S |
SMILES | S1(=O)(=O)N2[C@@H](c3ccccc13)[C@H]([C@H]1[C@@H]2CCCC1)c1ccccc1 |
Title of publication | The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy. |
Authors of publication | An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 1 |
Pages of publication | 238 - 241 |
a | 6.3817 ± 0.0003 Å |
b | 9.423 ± 0.0004 Å |
c | 28.5737 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1718.27 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0814 |
Weighted residual factors for all reflections included in the refinement | 0.0864 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/1544967.html
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Users of the data should acknowledge the original authors of the
structural data.