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Information card for entry 2239836
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| Coordinates | 2239836.cif |
|---|---|
| Structure factors | 2239836.hkl |
| Original IUCr paper | HTML |
| Common name | triclopyr |
|---|---|
| Chemical name | 2-[(3,5,6-Trichloropyridin-2-yl)oxy]acetic acid |
| Formula | C7 H4 Cl3 N O3 |
| Calculated formula | C7 H4 Cl3 N O3 |
| SMILES | Clc1nc(OCC(=O)O)c(Cl)cc1Cl |
| Title of publication | Crystal structure of triclopyr |
| Authors of publication | Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o940 |
| a | 7.5771 ± 0.0009 Å |
| b | 25.409 ± 0.003 Å |
| c | 10.1668 ± 0.0012 Å |
| α | 90° |
| β | 106.261 ± 0.008° |
| γ | 90° |
| Cell volume | 1879.1 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.055 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239836.cif 2239836.hkl |
| 181317 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/98. |
2239836.cif 2239836.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239836.cif 2239836.hkl |
| 121818 | 2014-08-10 | cif/ hkl/ Adding structures of 2239836 via cif-deposit CGI script. |
2239836.cif 2239836.hkl |
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Users of the data should acknowledge the original authors of the
structural data.