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Information card for entry 4038714
Preview
| Coordinates | 4038714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H15 Cl F3 N O5 S |
|---|---|
| Calculated formula | C18 H15 Cl F3 N O5 S |
| Title of publication | C2-Symmetric 1,2-Diphenylethane-1,2-diamine Derived Primary-Tertiary Diamine Catalyzed Asymmetric Mannich Addition of Cyclic N-Sulfonyl Trifluoromethylated Ketimines. |
| Authors of publication | Duan, Hui-Xin; Zhang, Yongna; Zhang, Zhen-Zhen; Wang, You-Qing |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.8858 ± 0.0004 Å |
| b | 9.5706 ± 0.0006 Å |
| c | 23.3142 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1982.7 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0524 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255632 (current) | 2020-08-26 | cif/ Adding structures of 4038714 via cif-deposit CGI script. |
4038714.cif |
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