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Information card for entry 7228339
Preview
| Coordinates | 7228339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H22 F N O5 |
|---|---|
| Calculated formula | C23 H22 F N O5 |
| SMILES | O=C(O/N=C(/c1occc1[C@@H]1OC(=O)C2=C(CCC[C@@]12C)C)C)c1ccc(F)cc1 |
| Title of publication | Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents |
| Authors of publication | Guo, Yong; Yang, Ruige; Xu, Hui |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 45 |
| Pages of publication | 28009 |
| a | 5.7078 ± 0.0004 Å |
| b | 17.242 ± 0.0012 Å |
| c | 21.441 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2110.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1856 |
| Residual factor for significantly intense reflections | 0.0739 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.2147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197021 (current) | 2017-05-27 | cif/ Adding structures of 7228337, 7228338, 7228339, 7228340, 7228341 via cif-deposit CGI script. |
7228339.cif |
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Users of the data should acknowledge the original authors of the
structural data.