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Information card for entry 1559703
Preview
| Coordinates | 1559703.cif |
|---|---|
| Structure factors | 1559703.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol |
|---|---|
| Formula | C42 H37 N O2 |
| Calculated formula | C42 H37 N O2 |
| SMILES | OC([C@@H](/N=C/c1c(O)c(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C)Cc1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | 2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol |
| Authors of publication | Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | x201576 |
| a | 9.2554 ± 0.0003 Å |
| b | 11.5721 ± 0.0004 Å |
| c | 31.9214 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3418.92 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0973 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559703.cif 1559703.hkl |
| 259558 | 2020-12-05 | cif/ hkl/ Adding structures of 1559703 via cif-deposit CGI script. |
1559703.cif 1559703.hkl |
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Users of the data should acknowledge the original authors of the
structural data.