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Information card for entry 1577350
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 F N O |
|---|---|
| Calculated formula | C11 H10 F N O |
| Title of publication | Highly stereoselective synthesis of allylic β-lactams <i>via</i> enzymatic C(sp<sup>3</sup>)-H amidation. |
| Authors of publication | Jafari, Nawal Zahra; Wang, Zheyuan; Chattopadhyay, Anwita; Roy, Satyajit; Fasan, Rudi |
| Journal of publication | Chemical science |
| Year of publication | 2026 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 9223 - 9229 |
| a | 7.1876 ± 0.00005 Å |
| b | 7.88139 ± 0.00005 Å |
| c | 33.6858 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1908.24 ± 0.02 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0299 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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