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Information card for entry 4127954
Preview
| Coordinates | 4127954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9 Cl4 F |
|---|---|
| Calculated formula | C14 H9 Cl4 F |
| Title of publication | Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention. |
| Authors of publication | Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 42 |
| Pages of publication | 16858 - 16864 |
| a | 9.881 ± 0.006 Å |
| b | 7.799 ± 0.005 Å |
| c | 36.55 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2817 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1444 |
| Residual factor for significantly intense reflections | 0.1242 |
| Weighted residual factors for significantly intense reflections | 0.4113 |
| Weighted residual factors for all reflections included in the refinement | 0.422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.783 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221106 (current) | 2019-11-02 | cif/ Adding structures of 4127948, 4127949, 4127950, 4127951, 4127952, 4127953, 4127954 via cif-deposit CGI script. |
4127954.cif |
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Users of the data should acknowledge the original authors of the
structural data.