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Information card for entry 2240949
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| Coordinates | 2240949.cif |
|---|---|
| Structure factors | 2240949.hkl |
| Original IUCr paper | HTML |
| Common name | Pyriproxyfen |
|---|---|
| Chemical name | 4-Phenoxyphenyl (<i>RS</i>)-2-[(pyridin-2-yl)oxy]propyl ether |
| Formula | C20 H19 N O3 |
| Calculated formula | C20 H19 N O3 |
| SMILES | O(c1ncccc1)C(C)COc1ccc(Oc2ccccc2)cc1 |
| Title of publication | Crystal structure of pyriproxyfen |
| Authors of publication | Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o588 |
| a | 10.0676 ± 0.0002 Å |
| b | 8.0279 ± 0.0001 Å |
| c | 40.9129 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3306.65 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240949.cif 2240949.hkl |
| 152450 | 2015-07-23 | cif/ hkl/ Adding structures of 2240949 via cif-deposit CGI script. |
2240949.cif 2240949.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.