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Information card for entry 2239033
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| Coordinates | 2239033.cif |
|---|---|
| Structure factors | 2239033.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4'-({[(Pyridine-2,6-diyl)bis(methylene)]bis(oxy)}bis(methylene))dibenzonitrile |
|---|---|
| Formula | C23 H19 N3 O2 |
| Calculated formula | C23 H19 N3 O2 |
| SMILES | N#Cc1ccc(cc1)COCc1cccc(n1)COCc1ccc(cc1)C#N |
| Title of publication | 4,4'-({[(Pyridine-2,6-diyl)bis(methylene)]bis(oxy)}bis(methylene))dibenzonitrile |
| Authors of publication | Yamin, Bohari M.; Kamalulazmy, Nurul A.; Hassan, Nurul I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o132 |
| a | 14.1838 ± 0.0007 Å |
| b | 7.5493 ± 0.0004 Å |
| c | 18.4619 ± 0.0012 Å |
| α | 90° |
| β | 107.837 ± 0.002° |
| γ | 90° |
| Cell volume | 1881.83 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0494 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239033.cif 2239033.hkl |
| 181309 | 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 2/23/90. |
2239033.cif 2239033.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. |
2239033.cif 2239033.hkl |
| 104870 | 2014-03-11 | cif/ hkl/ Adding structures of 2239033 via cif-deposit CGI script. |
2239033.cif 2239033.hkl |
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Users of the data should acknowledge the original authors of the
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