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Information card for entry 2239122
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| Coordinates | 2239122.cif |
|---|---|
| Structure factors | 2239122.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine |
|---|---|
| Formula | C27 H31 N3 |
| Calculated formula | C27 H31 N3 |
| SMILES | CC(=N\c1c(C)cc(cc1C)C)/c1cccc(n1)/C(=N/c1c(C)cc(cc1C)C)C |
| Title of publication | 2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine |
| Authors of publication | Boyt, Stuart M.; Chaplin, Adrian B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o73 |
| a | 8.2098 ± 0.0003 Å |
| b | 11.4125 ± 0.0004 Å |
| c | 13.0619 ± 0.0004 Å |
| α | 79.224 ± 0.003° |
| β | 77.066 ± 0.003° |
| γ | 76.645 ± 0.003° |
| Cell volume | 1148.65 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239122.cif 2239122.hkl |
| 181310 | 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 2/23/91. |
2239122.cif 2239122.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. |
2239122.cif 2239122.hkl |
| 105011 | 2014-03-11 | cif/ hkl/ Adding structures of 2239122 via cif-deposit CGI script. |
2239122.cif 2239122.hkl |
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Users of the data should acknowledge the original authors of the
structural data.