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Information card for entry 4508906
Preview
| Coordinates | 4508906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3:2 co-crystal of 4,4'-biphenol and 2-aminopyridine |
|---|---|
| Chemical name | 3:2 co-crystal of 4,4'-biphenol and 2-aminopyridine |
| Formula | C23 H21 N2 O3 |
| Calculated formula | C23 H21 N2 O3 |
| Title of publication | Supramolecular Heterocatemers and Their Role in Cocrystal Design |
| Authors of publication | Bis, Joanna A.; McLaughlin, Olga L.; Vishweshwar, Peddy; Zaworotko, Michael J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 2648 |
| a | 11.3359 ± 0.0016 Å |
| b | 20.632 ± 0.003 Å |
| c | 8.0994 ± 0.0012 Å |
| α | 90° |
| β | 94.359 ± 0.003° |
| γ | 90° |
| Cell volume | 1888.8 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0865 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4508906.cif |
| 179625 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/89. |
4508906.cif |
| 97002 | 2014-01-29 | cif/ Adding structures of 4508906 via cif-deposit CGI script. |
4508906.cif |
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Users of the data should acknowledge the original authors of the
structural data.