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Information card for entry 7053290
Preview
| Coordinates | 7053290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 4-(1-hydroxy-1,2-diphenylethyl)pyridine |
|---|---|
| Chemical name | 4-(1-hydroxy-1,2-diphenylethyl)pyridine |
| Formula | C19 H17 N O |
| Calculated formula | C19 H17 N O |
| SMILES | n1ccc(cc1)C(O)(Cc1ccccc1)c1ccccc1 |
| Title of publication | Investigation of sublimation with and without dissociation in the chloride and nitrate salts of 4-(1-hydroxy-1,2-diphenylethyl)pyridine |
| Authors of publication | Báthori, Nikoletta B.; Bombicz, Petra; Bourne, Susan A.; Venter, Gerhard A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2010 |
| Journal volume | 34 |
| Journal issue | 3 |
| Pages of publication | 405 |
| a | 9.3446 ± 0.0019 Å |
| b | 10.612 ± 0.002 Å |
| c | 15.267 ± 0.003 Å |
| α | 90° |
| β | 107.7 ± 0.03° |
| γ | 90° |
| Cell volume | 1442.3 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053290.cif |
| 180086 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32. |
7053290.cif |
| 92975 | 2014-01-12 | cif/ Adding structures of 7053290, 7053291, 7053292 via cif-deposit CGI script. |
7053290.cif |
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Users of the data should acknowledge the original authors of the
structural data.