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Information card for entry 1520051
Preview
| Coordinates | 1520051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 4PAzP 170 |
|---|---|
| Chemical name | 4-pyridylazophenyl |
| Formula | C11 H9 N3 |
| Calculated formula | C11 H9 N3 |
| SMILES | n1ccc(/N=N/c2ccccc2)cc1 |
| Title of publication | Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization |
| Authors of publication | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 4717 |
| a | 5.9077 ± 0.0007 Å |
| b | 7.4479 ± 0.0009 Å |
| c | 21.752 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 957.1 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0923 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520051.cif |
| 171452 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1. |
1520051.cif |
| 153087 | 2015-08-08 | cif/ Updating files of 1520043, 1520044, 1520045, 1520046, 1520047, 1520048, 1520049, 1520050, 1520051, 1520052 Original log message: Adding full bibliography for 1520043--1520052.cif. |
1520051.cif |
| 137452 | 2015-05-28 | cif/ Adding structures of 1520043, 1520044, 1520045, 1520046, 1520047, 1520048, 1520049, 1520050, 1520051, 1520052 via cif-deposit CGI script. |
1520051.cif |
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Users of the data should acknowledge the original authors of the
structural data.