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Information card for entry 1571217
Preview
| Coordinates | 1571217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 F3 N O5 |
|---|---|
| Calculated formula | C18.001 H16 F3.0015 N O5.001 |
| Title of publication | A transaminase-mediated aldol reaction and applications in cascades to styryl pyridines. |
| Authors of publication | Wang, Yu; Li, Yiwen; Ni, Yeke; Bučar, Dejan-Krešimir; Dalby, Paul A.; Ward, John M.; Jeffries, Jack W. E.; Hailes, Helen C. |
| Journal of publication | Catalysis science & technology |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 2390 - 2399 |
| a | 4.3844 ± 0.0001 Å |
| b | 16.88 ± 0.0003 Å |
| c | 23.4788 ± 0.0004 Å |
| α | 90° |
| β | 91.0715 ± 0.0019° |
| γ | 90° |
| Cell volume | 1737.33 ± 0.06 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292757 (current) | 2024-07-05 | cif/ Updating files of 1571217 Original log message: Adding full bibliography for 1571217.cif. |
1571217.cif |
| 290455 | 2024-03-13 | cif/ Adding structures of 1571217 via cif-deposit CGI script. |
1571217.cif |
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Users of the data should acknowledge the original authors of the
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