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Information card for entry 7160831
Preview
| Coordinates | 7160831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Cl N2 O4 S |
|---|---|
| Calculated formula | C21 H23 Cl N2 O4 S |
| Title of publication | Enantioselective access to quaternary stereocenters of pyrrolidines <i>via</i> Rh-catalyzed intramolecular cyclization of 1,6-enynes. |
| Authors of publication | Hao, Runqi; Hou, Fei; Liu, Liqin; Wang, Rao; Tao, Yuan; Jia, Zhenhua; Chen, Fen-Er |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 8.7379 ± 0.0009 Å |
| b | 9.8928 ± 0.0011 Å |
| c | 25.507 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2204.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0337 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303060 (current) | 2025-10-28 | cif/ Adding structures of 7160831 via cif-deposit CGI script. |
7160831.cif |
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