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Information card for entry 2238463
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| Coordinates | 2238463.cif |
|---|---|
| Structure factors | 2238463.hkl |
| Original IUCr paper | HTML |
| Common name | Bifenox |
|---|---|
| Chemical name | Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate |
| Formula | C14 H9 Cl2 N O5 |
| Calculated formula | C14 H9 Cl2 N O5 |
| SMILES | Clc1cc(Cl)c(Oc2ccc(N(=O)=O)c(c2)C(=O)OC)cc1 |
| Title of publication | Bifenox: methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate |
| Authors of publication | Jeon, Youngeun; Kim, Jineun; Cho, Seonghwa; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1206 |
| a | 8.4945 ± 0.0007 Å |
| b | 9.961 ± 0.0008 Å |
| c | 10.3969 ± 0.0008 Å |
| α | 64.601 ± 0.001° |
| β | 68.72 ± 0.001° |
| γ | 70.421 ± 0.001° |
| Cell volume | 723.48 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (current) | 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 2/23/84. |
2238463.cif 2238463.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. |
2238463.cif 2238463.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238463.cif 2238463.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238463.cif 2238463.hkl |
| 88330 | 2013-09-04 | cif/ Adding structures of 2238463 via cif-deposit CGI script. |
2238463.cif |
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Users of the data should acknowledge the original authors of the
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