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Information card for entry 2234197
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| Coordinates | 2234197.cif |
|---|---|
| Structure factors | 2234197.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Bis(1-phenylethyl)imidazolidine-2-thione |
|---|---|
| Formula | C19 H22 N2 S |
| Calculated formula | C19 H22 N2 S |
| SMILES | C[C@H](N1CCN(C1=S)[C@H](c1ccccc1)C)c1ccccc1 |
| Title of publication | 1,3-Bis(1-phenylethyl)imidazolidine-2-thione |
| Authors of publication | Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Khan, Imran |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1188 |
| a | 5.8692 ± 0.0005 Å |
| b | 5.8692 ± 0.0005 Å |
| c | 50.637 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1744.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.106 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1534 |
| Weighted residual factors for all reflections included in the refinement | 0.1704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181263 (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 2/23/41. |
2234197.cif 2234197.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. |
2234197.cif 2234197.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234197.cif 2234197.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234197.cif 2234197.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234197.cif 2234197.hkl |
| 55461 | 2012-05-05 | cif/ Adding structures of 2234197 via cif-deposit CGI script. |
2234197.cif |
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Users of the data should acknowledge the original authors of the
structural data.