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Information card for entry 2238339
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| Coordinates | 2238339.cif |
|---|---|
| Structure factors | 2238339.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Chloro-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran |
|---|---|
| Formula | C16 H12 Cl F O2 S |
| Calculated formula | C16.0028 H12 Cl F O2 S |
| Title of publication | 5-Chloro-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran |
| Authors of publication | Choi, Hong Dae; Seo, Pil Ja; Lee, Uk |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1210 |
| a | 9.5538 ± 0.0005 Å |
| b | 11.2638 ± 0.0005 Å |
| c | 13.4079 ± 0.0006 Å |
| α | 98.739 ± 0.002° |
| β | 93.733 ± 0.003° |
| γ | 98.627 ± 0.002° |
| Cell volume | 1404.25 ± 0.12 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| 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 | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (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 2/23/83. |
2238339.cif 2238339.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. |
2238339.cif 2238339.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238339.cif 2238339.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238339.cif 2238339.hkl |
| 88180 | 2013-09-04 | cif/ Adding structures of 2238339 via cif-deposit CGI script. |
2238339.cif |
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Users of the data should acknowledge the original authors of the
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