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Information card for entry 2240339
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| Coordinates | 2240339.cif |
|---|---|
| Structure factors | 2240339.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-{3,5-Dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yloxy]phenyl}-3-(2,6-difluorobenzoyl)urea |
|---|---|
| Formula | C20 H9 Cl3 F5 N3 O3 |
| Calculated formula | C20 H9 Cl3 F5 N3 O3 |
| SMILES | Clc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cc(Cl)c1Oc1ncc(cc1Cl)C(F)(F)F |
| Title of publication | Crystal structure of chlorfluazuron |
| Authors of publication | Cho, Seonghwa; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o55 |
| a | 8.5805 ± 0.0003 Å |
| b | 10.1281 ± 0.0004 Å |
| c | 12.5883 ± 0.0004 Å |
| α | 79.498 ± 0.002° |
| β | 82.93 ± 0.002° |
| γ | 83.485 ± 0.002° |
| Cell volume | 1062.82 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240339.cif 2240339.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240339.cif 2240339.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240339.cif 2240339.hkl |
| 128889 | 2014-12-21 | cif/ hkl/ Adding structures of 2240339 via cif-deposit CGI script. |
2240339.cif 2240339.hkl |
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Users of the data should acknowledge the original authors of the
structural data.