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Information card for entry 2230261
Preview
| Coordinates | 2230261.cif |
|---|---|
| Structure factors | 2230261.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>,<i>E</i>,<i>E</i>,<i>E</i>)-2,3,5,6-Tetrakis{2- [4-(dimethylamino)phenyl]ethenyl}pyrazine |
|---|---|
| Formula | C44 H48 N6 |
| Calculated formula | C44 H48 N6 |
| SMILES | CN(c1ccc(cc1)/C=C/c1nc(/C=C/c2ccc(cc2)N(C)C)c(nc1/C=C/c1ccc(cc1)N(C)C)/C=C/c1ccc(cc1)N(C)C)C |
| Title of publication | (<i>E</i>,<i>E</i>,<i>E</i>,<i>E</i>)-2,3,5,6-Tetrakis{2-[4-(dimethylamino)phenyl]ethenyl}pyrazine |
| Authors of publication | Schmitt, Volker; Schollmeyer, Dieter; Detert, Heiner |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1553 |
| a | 10.763 ± 0.002 Å |
| b | 16.6751 ± 0.0019 Å |
| c | 10.755 ± 0.003 Å |
| α | 90° |
| β | 101.109 ± 0.009° |
| γ | 90° |
| Cell volume | 1894.1 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1198 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.2131 |
| Weighted residual factors for all reflections included in the refinement | 0.239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181224 (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 2/23/02. |
2230261.cif 2230261.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. |
2230261.cif 2230261.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230261.cif 2230261.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. | 2230261.cif 2230261.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230261.cif 2230261.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230261.cif 2230261.hkl |
| 22232 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230261 via cif-deposit CGI script. |
2230261.cif |
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Users of the data should acknowledge the original authors of the
structural data.