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Information card for entry 7225395
Preview
| Coordinates | 7225395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 N O4 S |
|---|---|
| Calculated formula | C19 H20 N O4 S |
| SMILES | N1(S(=O)(=O)c2ccc(cc2)C)[C@H](O)C[C@H]([C@H]1C(=O)C)c1ccccc1 |
| Title of publication | Prochiral Alkyl-aminomethyl Ketones as Convenient Precursors for Efficient Synthesis of Chiral (2,3,5)- Tri-substitued Pyrrolidines via an Organo-Catalysed Tandem Reaction |
| Authors of publication | Song, Yuming; Li, Ke; Shu, Tao; Xie, Yamei; Zhang, Yixin; Qu, Jingping |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.3097 ± 0.0011 Å |
| b | 10.0954 ± 0.0015 Å |
| c | 24.274 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1791.3 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183212 (current) | 2016-06-01 | cif/ Adding structures of 7225395, 7225396 via cif-deposit CGI script. |
7225395.cif |
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