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Information card for entry 7208903
Preview
| Coordinates | 7208903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 03-04BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)6-COOH |
|---|---|
| Formula | C18 H22 N4 O4 |
| Calculated formula | C18 H22 N4 O4 |
| SMILES | c1c(cccn1)/N=N/c1cnccc1.C(=O)(O)CCCCCCC(=O)O |
| Title of publication | Interdependence of structure and physical properties in co-crystals of azopyridines |
| Authors of publication | Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 463 |
| a | 5.468 ± 0.0006 Å |
| b | 7.0381 ± 0.0007 Å |
| c | 11.9358 ± 0.0012 Å |
| α | 98.867 ± 0.006° |
| β | 93.592 ± 0.006° |
| γ | 102.392 ± 0.006° |
| Cell volume | 441.09 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0585 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180420 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/89. |
7208903.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208903.cif |
| 73540 | 2013-02-20 | cif/ Adding structures of 7208901, 7208902, 7208903, 7208904, 7208905 via cif-deposit CGI script. |
7208903.cif |
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Users of the data should acknowledge the original authors of the
structural data.