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Information card for entry 7225396
Preview
| Coordinates | 7225396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22.5 N O4.5 S |
|---|---|
| Calculated formula | C19 H22.5 N O4.5 S |
| SMILES | S(=O)(=O)(N1[C@H](O)C[C@H]([C@@H]1C(=O)C)c1ccccc1)c1ccc(cc1)C.O |
| 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 | 10.156 ± 0.003 Å |
| b | 17.874 ± 0.005 Å |
| c | 20.771 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3770.5 ± 1.9 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 | 0.1043 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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. |
7225396.cif |
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Users of the data should acknowledge the original authors of the
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