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Information card for entry 7228340
Preview
| Coordinates | 7228340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 O4 |
|---|---|
| Calculated formula | C16 H20 O4 |
| SMILES | O=C1O[C@H]([C@]2(C1=C(CCC2)C)C)c1cc(oc1)[C@@H](O)C |
| 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 | 12.0929 ± 0.0008 Å |
| b | 7.6383 ± 0.0006 Å |
| c | 16.1738 ± 0.0011 Å |
| α | 90° |
| β | 93.513 ± 0.006° |
| γ | 90° |
| Cell volume | 1491.15 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1473 |
| Residual factor for significantly intense reflections | 0.0781 |
| Weighted residual factors for significantly intense reflections | 0.1765 |
| Weighted residual factors for all reflections included in the refinement | 0.2357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.7107 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. |
7228340.cif |
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Users of the data should acknowledge the original authors of the
structural data.