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Information card for entry 7160376
Preview
| Coordinates | 7160376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H11 F2 N O4 |
|---|---|
| Calculated formula | C13 H11 F2 N O4 |
| Title of publication | Synthesis of selected plant metabolites of icafolin-methyl <i>via</i> the formation of a spirocyclic nitronate. |
| Authors of publication | Schulz, Göran; Maletz, Julia; Janisch, Pascal; Moczarski, Stefan; Ostrovskyi, Dmytro |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 11 |
| Pages of publication | 2726 - 2730 |
| a | 5.8796 ± 0.0008 Å |
| b | 6.5729 ± 0.0009 Å |
| c | 8.5183 ± 0.0011 Å |
| α | 84.671 ± 0.005° |
| β | 79.616 ± 0.007° |
| γ | 73.035 ± 0.005° |
| Cell volume | 309.43 ± 0.07 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299134 (current) | 2025-04-05 | cif/ Updating files of 7160375, 7160376 Original log message: Adding full bibliography for 7160375--7160376.cif. |
7160376.cif |
| 297715 | 2025-02-13 | cif/ Adding structures of 7160375, 7160376 via cif-deposit CGI script. |
7160376.cif |
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Users of the data should acknowledge the original authors of the
structural data.