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Information card for entry 1553873
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1553873.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H23 N O4 S |
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Calculated formula | C13 H23 N O4 S |
SMILES | S([C@]1(CN[C@](C1)(C)C(=O)OC)C(=O)OC)C(C)(C)C |
Title of publication | Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters |
Authors of publication | Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 1 |
Pages of publication | 36 |
a | 6.1598 ± 0.0003 Å |
b | 8.133 ± 0.0004 Å |
c | 31.1006 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1558.07 ± 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 | 0.0588 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.1025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
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/1553873.html
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Users of the data should acknowledge the original authors of the
structural data.