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Information card for entry 7229926
Preview
| Coordinates | 7229926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 Cl N5 O3 |
|---|---|
| Calculated formula | C9 H12 Cl N5 O3 |
| SMILES | Clc1ncc(CN(OCC)/C(=N/N(=O)=O)N)cc1 |
| Title of publication | Design, synthesis, and insecticidal activity of novel 1-alkoxy-2-nitroguanidines |
| Authors of publication | Yang, Dongyan; Wan, Chuan; Xiao, Yumei; Che, Chuanliang; Rui, Changhui; Qin, Zhaohai |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 1838 |
| a | 11.7756 ± 0.0004 Å |
| b | 9.1501 ± 0.0003 Å |
| c | 11.4455 ± 0.0004 Å |
| α | 90° |
| β | 103.01 ± 0.003° |
| γ | 90° |
| Cell volume | 1201.57 ± 0.07 Å3 |
| Cell temperature | 105.2 K |
| Ambient diffraction temperature | 105.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204975 (current) | 2018-01-09 | cif/ Adding structures of 7229926 via cif-deposit CGI script. |
7229926.cif |
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Users of the data should acknowledge the original authors of the
structural data.