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Information card for entry 7250591
Preview
| Coordinates | 7250591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 |
|---|---|
| Formula | C16 H22 F N O3 |
| Calculated formula | C16 H22 F N O3 |
| Title of publication | Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction |
| Authors of publication | Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 26 |
| Pages of publication | 21133 - 21141 |
| a | 5.5276 ± 0.0002 Å |
| b | 22.2991 ± 0.0008 Å |
| c | 12.726 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1568.61 ± 0.09 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0758 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1707 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0474 |
| 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 |
|---|---|---|---|
| 300241 (current) | 2025-06-27 | cif/ Adding structures of 7250590, 7250591, 7250592, 7250593, 7250594 via cif-deposit CGI script. |
7250591.cif |
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Users of the data should acknowledge the original authors of the
structural data.