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Information card for entry 2238222
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| Coordinates | 2238222.cif |
|---|---|
| Structure factors | 2238222.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate |
|---|---|
| Formula | C29.5 H16.5 Cl1.5 F6 N2 S2 |
| Calculated formula | C29.5 H16.5 Cl1.5 F6 N2 S2 |
| Title of publication | 4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate |
| Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Masmali, Ali; Balakit, Asim A.; Kariuki, Benson M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1041 |
| a | 18.4237 ± 0.0004 Å |
| b | 15.7594 ± 0.0006 Å |
| c | 20.9299 ± 0.0007 Å |
| α | 90° |
| β | 113.28 ± 0.002° |
| γ | 90° |
| Cell volume | 5582.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1083 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1509 |
| Weighted residual factors for all reflections included in the refinement | 0.1744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238222.cif 2238222.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2238222.cif 2238222.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238222.cif 2238222.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238222.cif 2238222.hkl |
| 87475 | 2013-08-27 | cif/ Adding structures of 2238222 via cif-deposit CGI script. |
2238222.cif |
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Users of the data should acknowledge the original authors of the
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