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Information card for entry 7227842
Preview
| Coordinates | 7227842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H24 Cl N2 O |
|---|---|
| Calculated formula | C16 H24 Cl N2 O |
| SMILES | ClC1=C(CC[C@H]2N1C[C@@H]1CCCN3CCC[C@H]2[C@H]13)C=O |
| Title of publication | Semisynthesis of some matrine ether derivatives as insecticidal agents |
| Authors of publication | Huang, Jiu-Lin; Lv, Min; Xu, Hui |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 26 |
| Pages of publication | 15997 |
| a | 8.4983 ± 0.0005 Å |
| b | 8.3756 ± 0.0005 Å |
| c | 10.7054 ± 0.0007 Å |
| α | 90° |
| β | 106.311 ± 0.006° |
| γ | 90° |
| Cell volume | 731.32 ± 0.08 Å3 |
| Cell temperature | 295.35 ± 0.1 K |
| Ambient diffraction temperature | 295.35 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194224 (current) | 2017-03-14 | cif/ Adding structures of 7227842, 7227843, 7227844, 7227845 via cif-deposit CGI script. |
7227842.cif |
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Users of the data should acknowledge the original authors of the
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