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Information card for entry 2236238
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| Coordinates | 2236238.cif |
|---|---|
| Structure factors | 2236238.hkl |
| Original IUCr paper | HTML |
| Common name | (1,4-phenylenebis(methan-1-yl-1-ylidene))bis(1-(thiophen-2-yl)methanamine) |
|---|---|
| Chemical name | 1-(Thiophen-2-yl)-N-(4-{(E)-[(thiophen-2- yl)methyl]iminomethyl}benzylidene)methanamine |
| Formula | C18 H16 N2 S2 |
| Calculated formula | C18 H16 N2 S2 |
| Title of publication | 1-(Thiophen-2-yl)-<i>N</i>-(4-{(<i>E</i>)-[(thiophen-2-yl)methyl]iminomethyl}benzylidene)methanamine |
| Authors of publication | Chiririwa, Haleden; Moss, John R.; Hendricks, Denver; Meijboom, Reinout |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | o3137 |
| a | 8.8517 ± 0.0003 Å |
| b | 10.3937 ± 0.0005 Å |
| c | 10.5763 ± 0.0004 Å |
| α | 63.836 ± 0.002° |
| β | 69.023 ± 0.002° |
| γ | 72.394 ± 0.002° |
| Cell volume | 803.22 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0696 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| 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 |
|---|---|---|---|
| 181284 (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 2/23/62. |
2236238.cif 2236238.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2236238.cif 2236238.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236238.cif 2236238.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. | 2236238.cif 2236238.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236238.cif 2236238.hkl |
| 69807 | 2012-12-21 | cif/ Adding structures of 2236238 via cif-deposit CGI script. |
2236238.cif |
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Users of the data should acknowledge the original authors of the
structural data.